 Entering Gaussian System, Link 0=g16
 Input=21_phenylethanol_conformer02_STD_wB97XD_def2SVPD.in
 Output=21_phenylethanol_conformer02_STD_wB97XD_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/Gau-13343.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/wB97XD_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     13346.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                13-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=21_phenylethanol_conformer02_STD_wB97XD_def2SVPD
 ----------------------------------------------------------------------
 #P wB97XD/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=120) Polar=ROA
  Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-58,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               1.8 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "21_phenylethanol_conformer02_STD_wB97XD_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  O                                                -2.283987000000      1.156120000000     -0.373456000000
  C                                                -1.655795000000     -0.121273000000     -0.366360000000
  H                                                -2.318612000000      1.484471000000      0.532599000000
  H                                                -1.860649000000     -0.525090000000     -1.361656000000
  C                                                -2.302509000000     -1.029603000000      0.677627000000
  C                                                -0.147700000000     -0.039181000000     -0.192779000000
  H                                                -2.124690000000     -0.633553000000      1.681464000000
  H                                                -1.888324000000     -2.037154000000      0.643744000000
  H                                                -3.377784000000     -1.087470000000      0.505904000000
  C                                                 0.491776000000      1.164959000000      0.083802000000
  C                                                 1.871834000000      1.212975000000      0.256826000000
  C                                                 2.632604000000      0.057673000000      0.146221000000
  C                                                 2.004188000000     -1.148889000000     -0.145245000000
  C                                                 0.627734000000     -1.194232000000     -0.312182000000
  H                                                -0.089333000000      2.074672000000      0.140318000000
  H                                                 2.351589000000      2.159628000000      0.471088000000
  H                                                 3.706229000000      0.095350000000      0.277421000000
  H                                                 2.588377000000     -2.054912000000     -0.244841000000
  H                                                 0.152296000000     -2.139482000000     -0.545858000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     19 NQM=       19 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          16          12           1           1          12          12           1           1           1          12
 AtmWgt=  15.9949146  12.0000000   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250  12.0000000
 NucSpn=           0           0           1           1           0           0           1           1           1           0
 AtZEff=   5.6000000   3.6000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   0.0000000
 AtZNuc=   8.0000000   6.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19
 IAtWgt=          12          12          12          12           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Fri Aug 13 10:47:06 2021, MaxMem=  5368709120 cpu:               1.1 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -2.283987    1.156120   -0.373456
      2          6           0       -1.655795   -0.121273   -0.366360
      3          1           0       -2.318612    1.484471    0.532599
      4          1           0       -1.860649   -0.525090   -1.361656
      5          6           0       -2.302509   -1.029603    0.677627
      6          6           0       -0.147700   -0.039181   -0.192779
      7          1           0       -2.124690   -0.633553    1.681464
      8          1           0       -1.888324   -2.037154    0.643744
      9          1           0       -3.377784   -1.087470    0.505904
     10          6           0        0.491776    1.164959    0.083802
     11          6           0        1.871834    1.212975    0.256826
     12          6           0        2.632604    0.057673    0.146221
     13          6           0        2.004188   -1.148889   -0.145245
     14          6           0        0.627734   -1.194232   -0.312182
     15          1           0       -0.089333    2.074672    0.140318
     16          1           0        2.351589    2.159628    0.471088
     17          1           0        3.706229    0.095350    0.277421
     18          1           0        2.588377   -2.054912   -0.244841
     19          1           0        0.152296   -2.139482   -0.545858
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  O    0.000000
     2  C    1.423520   0.000000
     3  H    0.964339   1.955982   0.000000
     4  H    1.995550   1.093457   2.799333   0.000000
     5  C    2.425387   1.527485   2.518305   2.146730   0.000000
     6  C    2.454610   1.520270   2.749645   2.129924   2.526211
     7  H    2.729652   2.162378   2.417338   3.056479   1.093693
     8  H    3.374647   2.178297   3.549555   2.511719   1.089888
     9  H    2.646387   2.158617   2.781625   2.470982   1.090437
    10  C    2.813187   2.543443   2.863876   3.237208   3.602327
    11  C    4.203729   3.822662   4.208277   4.424001   4.757244
    12  C    5.064535   4.322630   5.167164   4.775210   5.081329
    13  C    4.873766   3.807934   5.106922   4.099481   4.386227
    14  C    3.742463   2.523625   4.070634   2.782301   3.097281
    15  H    2.433970   2.744577   2.339211   3.486008   3.850113
    16  H    4.817556   4.686465   4.719152   5.320678   5.645749
    17  H    6.118134   5.404876   6.188173   5.836236   6.126224
    18  H    5.836711   4.665482   6.100015   4.835438   5.081631
    19  H    4.101974   2.715618   4.516801   2.706240   2.958854
                    6          7          8          9         10
     6  C    0.000000
     7  H    2.788289   0.000000
     8  H    2.778748   1.761484   0.000000
     9  H    3.467061   1.777140   1.771833   0.000000
    10  C    1.391179   3.554302   4.028888   4.497233   0.000000
    11  C    2.418379   4.627252   4.985161   5.736948   1.391691
    12  C    2.802569   5.046445   5.007456   6.129069   2.411042
    13  C    2.421639   4.544235   4.069787   5.421567   2.773760
    14  C    1.396316   3.444535   2.820436   4.089601   2.396053
    15  H    2.140732   3.721867   4.516295   4.576757   1.080953
    16  H    3.394396   5.413312   5.968220   6.585634   2.144356
    17  H    3.884837   6.041709   5.998399   7.185716   3.393267
    18  H    3.398823   5.286200   4.564072   6.090537   3.856334
    19  H    2.150797   3.523273   2.364266   3.830718   3.380983
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.387706   0.000000
    13  C    2.399496   1.391277   0.000000
    14  C    2.768790   2.407676   1.387281   0.000000
    15  H    2.145291   3.387811   3.854312   3.377081   0.000000
    16  H    1.082693   2.145396   3.383318   3.851437   2.464696
    17  H    2.148142   1.082268   2.150284   3.389363   4.282850
    18  H    3.382926   2.148930   1.082624   2.142295   4.936795
    19  H    3.852283   3.385025   2.138053   1.083579   4.276484
                   16         17         18         19
    16  H    0.000000
    17  H    2.476651   0.000000
    18  H    4.281468   2.479108   0.000000
    19  H    4.934918   4.278166   2.456065   0.000000
 Stoichiometry    C8H10O
 Framework group  C1[X(C8H10O)]
 Deg. of freedom    51
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.70D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          8           0       -2.283987    1.156120   -0.373456
      2          6           0       -1.655795   -0.121273   -0.366360
      3          1           0       -2.318612    1.484471    0.532599
      4          1           0       -1.860649   -0.525090   -1.361656
      5          6           0       -2.302509   -1.029603    0.677627
      6          6           0       -0.147700   -0.039181   -0.192779
      7          1           0       -2.124690   -0.633553    1.681464
      8          1           0       -1.888324   -2.037154    0.643744
      9          1           0       -3.377784   -1.087470    0.505904
     10          6           0        0.491776    1.164959    0.083802
     11          6           0        1.871834    1.212975    0.256826
     12          6           0        2.632604    0.057673    0.146221
     13          6           0        2.004188   -1.148889   -0.145245
     14          6           0        0.627734   -1.194232   -0.312182
     15          1           0       -0.089333    2.074672    0.140318
     16          1           0        2.351589    2.159628    0.471088
     17          1           0        3.706229    0.095350    0.277421
     18          1           0        2.588377   -2.054912   -0.244841
     19          1           0        0.152296   -2.139482   -0.545858
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.4642690           1.1625108           0.9300830
 Leave Link  202 at Fri Aug 13 10:47:07 2021, MaxMem=  5368709120 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       3      4      7      8      9     15     16     17     18     19
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       2      5      6     10     11     12     13     14
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   281 symmetry adapted cartesian basis functions of A   symmetry.
 There are   263 symmetry adapted basis functions of A   symmetry.
   263 basis functions,   391 primitive gaussians,   281 cartesian basis functions
    33 alpha electrons       33 beta electrons
       nuclear repulsion energy       425.3601437934 Hartrees.
 IExCor= 4639 DFT=T Ex+Corr=wB97XD ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=121
 HFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.222036 cShort=  0.000000 cLong=  0.777964
 DFx  wShort=  0.000000 wLong=  0.200000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   19 NActive=   19 NUniq=   19 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D2 Dispersion energy=       -0.0104104531 Hartrees.
 Nuclear repulsion after empirical dispersion term =      425.3497333403 Hartrees.
 Leave Link  301 at Fri Aug 13 10:47:08 2021, MaxMem=  5368709120 cpu:               7.2 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   263 RedAO= T EigKep=  5.50D-06  NBF=   263
 NBsUse=   263 1.00D-06 EigRej= -1.00D+00 NBFU=   263
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   281   281   281   281   281 MxSgAt=    19 MxSgA2=    19.
 Leave Link  302 at Fri Aug 13 10:47:09 2021, MaxMem=  5368709120 cpu:               3.3 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Fri Aug 13 10:47:09 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "21_phenylethanol_conformer02_STD_wB97XD_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Fri Aug 13 10:47:10 2021, MaxMem=  5368709120 cpu:               3.1 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368546127 LenY=  5368466725
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -385.702715901852    
 DIIS: error= 4.20D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -385.702715901852     IErMin= 1 ErrMin= 4.20D-03
 ErrMax= 4.20D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.38D-03 BMatP= 9.38D-03
 IDIUse=3 WtCom= 9.58D-01 WtEn= 4.20D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.378 Goal=   None    Shift=    0.000
 GapD=    0.378 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=8.82D-03 MaxDP=2.30D-01              OVMax= 1.64D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  7.81D-03    CP:  1.13D+00
 E= -385.710661446784     Delta-E=       -0.007945544932 Rises=F Damp=F
 DIIS: error= 5.41D-04 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -385.710661446784     IErMin= 2 ErrMin= 5.41D-04
 ErrMax= 5.41D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.98D-04 BMatP= 9.38D-03
 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.41D-03
 Coeff-Com: -0.184D-01 0.102D+01
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:     -0.183D-01 0.102D+01
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=1.59D-03 MaxDP=5.01D-02 DE=-7.95D-03 OVMax= 6.69D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  7.52D-04    CP:  1.16D+00  1.11D+00
 E= -385.710902584425     Delta-E=       -0.000241137641 Rises=F Damp=F
 DIIS: error= 5.43D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -385.710902584425     IErMin= 2 ErrMin= 5.41D-04
 ErrMax= 5.43D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.59D-04 BMatP= 2.98D-04
 IDIUse=3 WtCom= 9.95D-01 WtEn= 5.43D-03
 Coeff-Com: -0.481D-01 0.503D+00 0.546D+00
 Coeff-En:   0.000D+00 0.865D-01 0.913D+00
 Coeff:     -0.478D-01 0.500D+00 0.548D+00
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=1.33D-04 MaxDP=3.92D-03 DE=-2.41D-04 OVMax= 3.29D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.32D-05    CP:  1.16D+00  1.12D+00  1.05D+00
 E= -385.711087404984     Delta-E=       -0.000184820558 Rises=F Damp=F
 DIIS: error= 8.31D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -385.711087404984     IErMin= 4 ErrMin= 8.31D-05
 ErrMax= 8.31D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.38D-06 BMatP= 2.59D-04
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.104D-01 0.403D-01 0.116D+00 0.854D+00
 Coeff:     -0.104D-01 0.403D-01 0.116D+00 0.854D+00
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=4.99D-05 MaxDP=1.26D-03 DE=-1.85D-04 OVMax= 6.87D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.15D-05    CP:  1.16D+00  1.13D+00  1.08D+00  1.11D+00
 E= -385.711092711230     Delta-E=       -0.000005306247 Rises=F Damp=F
 DIIS: error= 4.55D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -385.711092711230     IErMin= 5 ErrMin= 4.55D-05
 ErrMax= 4.55D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.98D-07 BMatP= 5.38D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.129D-02-0.362D-01-0.200D-01 0.311D+00 0.744D+00
 Coeff:      0.129D-02-0.362D-01-0.200D-01 0.311D+00 0.744D+00
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=2.38D-05 MaxDP=7.98D-04 DE=-5.31D-06 OVMax= 2.76D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.24D-05    CP:  1.16D+00  1.13D+00  1.10D+00  1.10D+00  9.90D-01
 E= -385.711093865239     Delta-E=       -0.000001154009 Rises=F Damp=F
 DIIS: error= 7.70D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -385.711093865239     IErMin= 6 ErrMin= 7.70D-06
 ErrMax= 7.70D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.54D-08 BMatP= 9.98D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.844D-03-0.118D-01-0.112D-01 0.369D-01 0.205D+00 0.780D+00
 Coeff:      0.844D-03-0.118D-01-0.112D-01 0.369D-01 0.205D+00 0.780D+00
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=6.00D-06 MaxDP=1.69D-04 DE=-1.15D-06 OVMax= 1.01D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.96D-06    CP:  1.16D+00  1.13D+00  1.10D+00  1.10D+00  1.04D+00
                    CP:  9.90D-01
 E= -385.711093922839     Delta-E=       -0.000000057600 Rises=F Damp=F
 DIIS: error= 3.56D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -385.711093922839     IErMin= 7 ErrMin= 3.56D-06
 ErrMax= 3.56D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.65D-09 BMatP= 4.54D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.272D-03-0.196D-02-0.298D-02-0.127D-01 0.188D-01 0.309D+00
 Coeff-Com:  0.690D+00
 Coeff:      0.272D-03-0.196D-02-0.298D-02-0.127D-01 0.188D-01 0.309D+00
 Coeff:      0.690D+00
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=2.33D-06 MaxDP=7.10D-05 DE=-5.76D-08 OVMax= 4.19D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.23D-06    CP:  1.16D+00  1.13D+00  1.10D+00  1.10D+00  1.06D+00
                    CP:  1.05D+00  9.65D-01
 E= -385.711093934132     Delta-E=       -0.000000011293 Rises=F Damp=F
 DIIS: error= 1.02D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -385.711093934132     IErMin= 8 ErrMin= 1.02D-06
 ErrMax= 1.02D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.13D-10 BMatP= 8.65D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.951D-04 0.191D-02 0.159D-02-0.121D-01-0.362D-01-0.651D-01
 Coeff-Com:  0.209D+00 0.901D+00
 Coeff:     -0.951D-04 0.191D-02 0.159D-02-0.121D-01-0.362D-01-0.651D-01
 Coeff:      0.209D+00 0.901D+00
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=9.42D-07 MaxDP=3.26D-05 DE=-1.13D-08 OVMax= 1.99D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  5.06D-07    CP:  1.16D+00  1.13D+00  1.10D+00  1.09D+00  1.06D+00
                    CP:  1.08D+00  1.06D+00  9.67D-01
 E= -385.711093935749     Delta-E=       -0.000000001616 Rises=F Damp=F
 DIIS: error= 2.17D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -385.711093935749     IErMin= 9 ErrMin= 2.17D-07
 ErrMax= 2.17D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.94D-11 BMatP= 9.13D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.327D-04 0.521D-03 0.475D-03-0.242D-02-0.928D-02-0.255D-01
 Coeff-Com:  0.235D-01 0.212D+00 0.801D+00
 Coeff:     -0.327D-04 0.521D-03 0.475D-03-0.242D-02-0.928D-02-0.255D-01
 Coeff:      0.235D-01 0.212D+00 0.801D+00
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=1.40D-07 MaxDP=4.36D-06 DE=-1.62D-09 OVMax= 2.71D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.04D-07    CP:  1.16D+00  1.13D+00  1.10D+00  1.09D+00  1.06D+00
                    CP:  1.08D+00  1.06D+00  1.00D+00  1.05D+00
 E= -385.711093935771     Delta-E=       -0.000000000022 Rises=F Damp=F
 DIIS: error= 1.08D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -385.711093935771     IErMin=10 ErrMin= 1.08D-07
 ErrMax= 1.08D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.43D-12 BMatP= 2.94D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.131D-05-0.818D-04-0.588D-04 0.867D-03 0.177D-02 0.741D-04
 Coeff-Com: -0.222D-01-0.551D-01 0.305D+00 0.770D+00
 Coeff:      0.131D-05-0.818D-04-0.588D-04 0.867D-03 0.177D-02 0.741D-04
 Coeff:     -0.222D-01-0.551D-01 0.305D+00 0.770D+00
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=5.96D-08 MaxDP=1.59D-06 DE=-2.19D-11 OVMax= 9.88D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  3.36D-08    CP:  1.16D+00  1.13D+00  1.10D+00  1.09D+00  1.06D+00
                    CP:  1.08D+00  1.06D+00  1.02D+00  1.10D+00  8.80D-01
 E= -385.711093935788     Delta-E=       -0.000000000018 Rises=F Damp=F
 DIIS: error= 1.64D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -385.711093935788     IErMin=11 ErrMin= 1.64D-08
 ErrMax= 1.64D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.33D-13 BMatP= 6.43D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.211D-05-0.491D-04-0.427D-04 0.364D-03 0.951D-03 0.149D-02
 Coeff-Com: -0.651D-02-0.259D-01 0.308D-01 0.186D+00 0.813D+00
 Coeff:      0.211D-05-0.491D-04-0.427D-04 0.364D-03 0.951D-03 0.149D-02
 Coeff:     -0.651D-02-0.259D-01 0.308D-01 0.186D+00 0.813D+00
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=1.79D-08 MaxDP=4.93D-07 DE=-1.75D-11 OVMax= 2.50D-07

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  9.74D-09    CP:  1.16D+00  1.13D+00  1.10D+00  1.09D+00  1.06D+00
                    CP:  1.08D+00  1.06D+00  1.01D+00  1.11D+00  9.06D-01
                    CP:  1.10D+00
 E= -385.711093935798     Delta-E=       -0.000000000010 Rises=F Damp=F
 DIIS: error= 9.11D-09 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -385.711093935798     IErMin=12 ErrMin= 9.11D-09
 ErrMax= 9.11D-09  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.58D-14 BMatP= 2.33D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.534D-06-0.793D-05-0.865D-05 0.386D-04 0.128D-03 0.472D-03
 Coeff-Com:  0.448D-04-0.310D-02-0.170D-01-0.138D-01 0.259D+00 0.774D+00
 Coeff:      0.534D-06-0.793D-05-0.865D-05 0.386D-04 0.128D-03 0.472D-03
 Coeff:      0.448D-04-0.310D-02-0.170D-01-0.138D-01 0.259D+00 0.774D+00
 Gap=     0.378 Goal=   None    Shift=    0.000
 RMSDP=4.74D-09 MaxDP=1.04D-07 DE=-9.78D-12 OVMax= 1.25D-07

 SCF Done:  E(RwB97XD) =  -385.711093936     A.U. after   12 cycles
            NFock= 12  Conv=0.47D-08     -V/T= 2.0113
 KE= 3.813954123308D+02 PE=-1.745494456430D+03 EE= 5.530382168234D+02
 Leave Link  502 at Fri Aug 13 10:48:53 2021, MaxMem=  5368709120 cpu:             816.2 elap:             102.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   263
 NBasis=   263 NAE=    33 NBE=    33 NFC=     0 NFV=     0
 NROrb=    263 NOA=    33 NOB=    33 NVA=   230 NVB=   230

 **** Warning!!: The largest alpha MO coefficient is  0.65554723D+02

 Leave Link  801 at Fri Aug 13 10:48:53 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         5740 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          19
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 1.26D-13 8.33D-09 XBig12= 1.00D+00 3.84D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 1.26D-13 8.33D-09 XBig12= 1.97D-01 6.85D-02.
     11 vectors produced by pass  2 Test12= 1.26D-13 8.33D-09 XBig12= 3.42D-02 5.29D-02.
     11 vectors produced by pass  3 Test12= 1.26D-13 8.33D-09 XBig12= 2.61D-03 1.35D-02.
     11 vectors produced by pass  4 Test12= 1.26D-13 8.33D-09 XBig12= 2.03D-04 2.53D-03.
     11 vectors produced by pass  5 Test12= 1.26D-13 8.33D-09 XBig12= 7.59D-06 3.31D-04.
     11 vectors produced by pass  6 Test12= 1.26D-13 8.33D-09 XBig12= 2.42D-07 6.98D-05.
     11 vectors produced by pass  7 Test12= 1.26D-13 8.33D-09 XBig12= 5.62D-09 1.36D-05.
     11 vectors produced by pass  8 Test12= 1.26D-13 8.33D-09 XBig12= 1.08D-10 2.16D-06.
     11 vectors produced by pass  9 Test12= 1.26D-13 8.33D-09 XBig12= 2.26D-12 2.74D-07.
      8 vectors produced by pass 10 Test12= 1.26D-13 8.33D-09 XBig12= 3.96D-14 3.08D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.49D-14
 Solved reduced A of dimension   118 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.125821D+03
      2  0.134265D+01  0.104939D+03
      3  0.212323D+01  0.534314D+01  0.691555D+02
 Isotropic polarizability for W=    0.085645       99.97 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.955967D+02  0.522729D+01  0.806941D+01
      2  -0.420952D+02 -0.135060D+02 -0.125744D+02
      3  -0.535015D+02  0.827867D+01  0.450504D+01
      4  -0.261154D+02  0.708397D+02  0.209443D+02
      5   0.268960D+02  0.224398D+02 -0.706500D+01
      6   0.839642D+01  0.977105D+01 -0.146943D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.646675D+00  0.534605D+00  0.690991D+01
      2   0.963226D+01  0.881400D+01 -0.137875D+01
      3  -0.652374D+01 -0.398476D+02 -0.840240D+01
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.149551D+01  0.223455D+02  0.229730D+02
      2  -0.188266D+02  0.125479D+02  0.464365D+02
      3  -0.313427D+02 -0.112935D+03 -0.140434D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1   0.579679D+00 -0.210185D+01 -0.114275D+01
      2  -0.210185D+01 -0.138757D+01  0.199429D+01
      3  -0.114275D+01  0.199429D+01  0.572819D+00
 OR G Eigenvalues:    -3.1225    -0.5654     3.4528  Iso=     0.0784
 Eigenvectors:
   (1)   0.380464   0.857898  -0.345337
   (2)   0.691491  -0.015948   0.722209
   (3)   0.614075  -0.513572  -0.599296
 w=    0.085645 a.u., Optical Rotation Beta=      0.0784 au.
 Molar Mass =    122.1664 grams/mole, [Alpha] ( 5320.0 A) =       30.42 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   34716 ScalPx= 4.45D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   34716 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 3.43D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 2.11D-14 2.78D-09 XBig12= 1.00D+00 3.37D-01.
     30 vectors produced by pass  1 Test12= 2.11D-14 2.78D-09 XBig12= 3.84D-02 3.97D-02.
     30 vectors produced by pass  2 Test12= 2.11D-14 2.78D-09 XBig12= 1.32D-03 5.84D-03.
     30 vectors produced by pass  3 Test12= 2.11D-14 2.78D-09 XBig12= 2.53D-05 9.43D-04.
     30 vectors produced by pass  4 Test12= 2.11D-14 2.78D-09 XBig12= 3.40D-07 1.10D-04.
     30 vectors produced by pass  5 Test12= 2.11D-14 2.78D-09 XBig12= 3.29D-09 8.58D-06.
     30 vectors produced by pass  6 Test12= 2.11D-14 2.78D-09 XBig12= 2.52D-11 6.04D-07.
     30 vectors produced by pass  7 Test12= 2.11D-14 2.78D-09 XBig12= 1.95D-13 5.09D-08.
      5 vectors produced by pass  8 Test12= 2.11D-14 2.78D-09 XBig12= 1.81D-15 4.31D-09.
      2 vectors produced by pass  9 Test12= 2.11D-14 2.78D-09 XBig12= 2.13D-15 5.06D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.33D-15
 Solved reduced A of dimension   247 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   34716 ScalPx= 8.59D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   34716 ScalPx= 8.59D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   34716 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.05D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.125821D+03  0.134265D+01  0.212323D+01
      2   0.134265D+01  0.104939D+03  0.534314D+01
      3   0.212323D+01  0.534314D+01  0.691555D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.646675D+00  0.534605D+00  0.690991D+01
      2   0.963226D+01  0.881400D+01 -0.137875D+01
      3  -0.652374D+01 -0.398476D+02 -0.840240D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.955967D+02  0.522729D+01  0.806941D+01
      2  -0.420952D+02 -0.135060D+02 -0.125744D+02
      3  -0.535015D+02  0.827867D+01  0.450504D+01
      4  -0.261154D+02  0.708397D+02  0.209443D+02
      5   0.268960D+02  0.224398D+02 -0.706500D+01
      6   0.839642D+01  0.977105D+01 -0.146943D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.241566D+01  0.220578D+01 -0.781570D+00  0.129635D+01 -0.226798D+01
      2   0.220578D+01 -0.136549D+01  0.949420D+00 -0.226798D+01  0.266364D+01
      3  -0.781570D+00  0.949420D+00 -0.815522D-01  0.120993D+01 -0.228680D+01
                 6             7             8             9            10 
      1   0.120993D+01 -0.179591D+01  0.141501D+01 -0.470855D+00  0.411864D+01
      2  -0.228680D+01  0.141501D+01 -0.277517D+01 -0.704715D+00  0.163977D+01
      3  -0.146179D+01 -0.470855D+00 -0.704715D+00 -0.459886D+01  0.612006D-01
                11            12            13            14            15 
      1   0.163977D+01  0.612006D-01  0.577929D+01  0.382698D+01 -0.121910D+01
      2   0.190243D+01 -0.983916D+00  0.382698D+01 -0.179269D+00  0.635620D+00
      3  -0.983916D+00  0.115963D+01 -0.121910D+01  0.635620D+00  0.393807D+01
                16            17            18            19            20 
      1  -0.154609D+00 -0.141731D+01  0.380265D+01 -0.604359D+00  0.461443D+00
      2  -0.141731D+01 -0.323641D+00  0.316301D+01  0.461443D+00 -0.495323D+00
      3   0.380265D+01  0.316301D+01  0.483954D+01  0.346984D+00 -0.207510D+00
                21            22            23            24            25 
      1   0.346984D+00  0.112015D+01 -0.817591D+00 -0.470536D+00  0.194250D+01
      2  -0.207510D+00 -0.817591D+00  0.222856D+01  0.110730D+01 -0.110892D+01
      3  -0.449258D+00 -0.470536D+00  0.110730D+01  0.163772D+01 -0.123552D+01
                26            27            28            29            30 
      1  -0.110892D+01 -0.123552D+01 -0.202488D+01 -0.717334D+00 -0.163315D+01
      2   0.275456D+01  0.214560D+01 -0.717334D+00 -0.637413D+00 -0.197111D+00
      3   0.214560D+01  0.428555D+01 -0.163315D+01 -0.197111D+00 -0.141172D+01
                31            32            33            34            35 
      1  -0.258101D+01 -0.157750D+01 -0.578083D+00 -0.406285D+01 -0.548459D+00
      2  -0.157750D+01 -0.118354D+01 -0.139219D+01 -0.548459D+00 -0.150953D+01
      3  -0.578083D+00 -0.139219D+01 -0.221058D+01 -0.280890D+01 -0.175437D+01
                36            37            38            39            40 
      1  -0.280890D+01  0.778687D+01  0.747409D+00  0.155935D+01 -0.249391D+01
      2  -0.175437D+01  0.747409D+00 -0.273672D+01  0.780405D+00 -0.342744D+01
      3  -0.727118D+01  0.155935D+01  0.780405D+00 -0.161580D+01  0.146449D+01
                41            42            43            44            45 
      1  -0.342744D+01  0.146449D+01  0.482440D+01  0.205472D+01 -0.198339D+01
      2   0.290251D+01  0.454553D+00  0.205472D+01  0.856803D+00 -0.288180D+01
      3   0.454553D+00 -0.304805D+01 -0.198339D+01 -0.288180D+01 -0.428390D+01
                46            47            48            49            50 
      1  -0.163909D+02 -0.242252D+01 -0.593669D+00 -0.306244D+01  0.197106D+01
      2  -0.242252D+01 -0.275780D+01 -0.158557D+00  0.197106D+01 -0.120981D+00
      3  -0.593669D+00 -0.158557D+00 -0.163646D+01  0.101281D+01  0.484249D-01
                51            52            53            54            55 
      1   0.101281D+01 -0.616041D+00  0.958987D+00 -0.377100D+01 -0.363981D+00
      2   0.484249D-01  0.958987D+00  0.723074D-02 -0.587970D+00  0.180928D+00
      3  -0.286815D+00 -0.377100D+01 -0.587970D+00 -0.152398D+01  0.579647D+00
                56            57            58            59            60 
      1   0.180928D+00  0.579647D+00  0.103120D+01  0.211423D+00 -0.508649D+00
      2   0.600960D+00 -0.106697D+00  0.211423D+00  0.550557D+00  0.993652D+00
      3  -0.106697D+00  0.106656D+01 -0.508649D+00  0.993652D+00  0.219538D+01
                61            62            63            64            65 
      1   0.123661D+01  0.592036D-01 -0.664303D+00  0.574029D+00 -0.819610D+00
      2   0.592036D-01  0.142545D+01  0.682805D+00 -0.819610D+00  0.163908D+01
      3  -0.664303D+00  0.682805D+00  0.710867D+01 -0.272014D+00 -0.357216D+00
                66            67            68            69            70 
      1  -0.272014D+00 -0.183515D+01  0.450240D+00  0.111198D+00 -0.586358D+00
      2  -0.357216D+00  0.450240D+00 -0.720230D+01  0.632674D+00 -0.280927D+00
      3   0.645927D+00  0.111198D+00  0.632674D+00 -0.109463D+01  0.234673D+00
                71            72            73            74            75 
      1  -0.280927D+00  0.234673D+00 -0.130985D+02 -0.220632D+01  0.106467D+00
      2   0.244018D+00 -0.656170D+00 -0.220632D+01 -0.142643D+01  0.146098D+00
      3  -0.656170D+00  0.563969D+00  0.106467D+00  0.146098D+00 -0.128189D+01
                76            77            78            79            80 
      1  -0.585135D+00 -0.110432D+01 -0.194400D+00 -0.212946D+01 -0.457425D+00
      2  -0.110432D+01 -0.825046D+00 -0.760054D-01 -0.457425D+00 -0.546093D+00
      3  -0.194400D+00 -0.760054D-01  0.250977D+00 -0.100044D+01  0.814143D-01
                81            82            83            84            85 
      1  -0.100044D+01  0.484205D+01 -0.923476D+00  0.235439D+00  0.780524D+01
      2   0.814143D-01 -0.923476D+00 -0.310202D+01 -0.899133D+00 -0.469710D-01
      3  -0.783682D-01  0.235439D+00 -0.899133D+00 -0.154890D+01  0.102428D+00
                86            87            88            89            90 
      1  -0.469710D-01  0.102428D+00  0.253967D+01 -0.398307D+00 -0.175402D+01
      2   0.168430D+01 -0.487220D+00 -0.398307D+00 -0.125004D+01  0.366103D+01
      3  -0.487220D+00  0.166970D+01 -0.175402D+01  0.366103D+01  0.961278D+00
                91            92            93            94            95 
      1  -0.331779D+01 -0.685804D-01 -0.488650D+00  0.491034D+01 -0.248066D-01
      2  -0.685804D-01  0.278019D+01 -0.303671D+00 -0.248066D-01  0.129758D+01
      3  -0.488650D+00 -0.303671D+00  0.832837D+00 -0.139310D+00 -0.671314D+00
                96            97            98            99           100 
      1  -0.139310D+00  0.241951D+00 -0.852796D+00  0.212917D+01  0.582737D+01
      2  -0.671314D+00 -0.852796D+00 -0.602927D+00  0.370241D+01  0.281561D+00
      3   0.153710D+01  0.212917D+01  0.370241D+01  0.218263D+01 -0.553064D+00
               101           102           103           104           105 
      1   0.281561D+00 -0.553064D+00  0.841847D+00 -0.595290D+00 -0.108449D+01
      2   0.314419D+01  0.148972D+00 -0.595290D+00 -0.559477D-01 -0.353359D+00
      3   0.148972D+00  0.215871D+01 -0.108449D+01 -0.353359D+00 -0.121629D+00
               106           107           108           109           110 
      1  -0.543662D+00 -0.107571D+01  0.519796D+01 -0.241872D+01 -0.254247D+00
      2  -0.107571D+01  0.158863D+00  0.802014D-01 -0.254247D+00  0.252196D+01
      3   0.519796D+01  0.802014D-01  0.115720D+01 -0.455802D+00  0.839918D+00
               111           112           113           114           115 
      1  -0.455802D+00 -0.543122D+01 -0.340160D+00 -0.836202D+00 -0.178800D+01
      2   0.839918D+00 -0.340160D+00 -0.107976D+01  0.846640D+00 -0.171764D+00
      3   0.139974D+01 -0.836202D+00  0.846640D+00 -0.163634D+01  0.277012D+01
               116           117           118           119           120 
      1  -0.171764D+00  0.277012D+01  0.385419D+01  0.174749D+01  0.508141D+00
      2   0.152012D+01 -0.332456D+01  0.174749D+01 -0.277088D+01  0.669537D-01
      3  -0.332456D+01 -0.911849D+00  0.508141D+00  0.669537D-01 -0.845843D+00
               121           122           123           124           125 
      1  -0.650451D+01 -0.972188D+00  0.181323D+00 -0.193275D+00  0.853508D+00
      2  -0.972188D+00 -0.154532D+01  0.858967D+00  0.853508D+00  0.448563D+00
      3   0.181323D+00  0.858967D+00 -0.130119D+01 -0.988547D+00 -0.336980D+01
               126           127           128           129           130 
      1  -0.988547D+00 -0.387725D+01  0.221804D+01  0.166875D+00  0.202382D+01
      2  -0.336980D+01  0.221804D+01 -0.252616D+01 -0.522812D-01 -0.267772D+01
      3  -0.230242D+01  0.166875D+00 -0.522812D-01 -0.214380D+00 -0.203124D+00
               131           132           133           134           135 
      1  -0.267772D+01 -0.203124D+00 -0.333244D+00  0.342294D-01  0.142411D+00
      2   0.689917D+01  0.441038D+00  0.342294D-01  0.432804D+00  0.363980D-01
      3   0.441038D+00  0.795525D+00  0.142411D+00  0.363980D-01 -0.183897D-01
               136           137           138           139           140 
      1   0.280213D+01  0.288720D+01  0.709435D+00  0.266507D+01  0.394151D+01
      2   0.288720D+01  0.309222D+01  0.711161D+00  0.394151D+01  0.847210D+01
      3   0.709435D+00  0.711161D+00  0.620638D+00  0.787312D+00  0.157529D+01
               141           142           143           144           145 
      1   0.787312D+00  0.706782D+00  0.951072D+00  0.268101D+00  0.127823D+02
      2   0.157529D+01  0.951072D+00  0.174465D+01  0.390294D+00  0.370541D+00
      3   0.120020D+01  0.268101D+00  0.390294D+00  0.251631D+00  0.127547D+01
               146           147           148           149           150 
      1   0.370541D+00  0.127547D+01  0.262404D+00  0.152359D+01  0.307012D+00
      2   0.801048D+00  0.491509D-02  0.152359D+01  0.146271D+00  0.165034D+00
      3   0.491509D-02  0.110751D+01  0.307012D+00  0.165034D+00  0.878372D-01
               151           152           153           154           155 
      1   0.159361D+01  0.330373D+00  0.159467D+00  0.390212D+01 -0.343048D+01
      2   0.330373D+00  0.958215D-01  0.227096D-01 -0.343048D+01  0.343677D+01
      3   0.159467D+00  0.227096D-01  0.195049D+00 -0.311414D+00  0.239223D+00
               156           157           158           159           160 
      1  -0.311414D+00 -0.330236D+01  0.429723D+01  0.588522D+00 -0.203492D+00
      2   0.239223D+00  0.429723D+01 -0.739548D+01 -0.824984D+00  0.405825D+00
      3   0.538781D+00  0.588522D+00 -0.824984D+00 -0.926685D+00  0.736723D-01
               161           162           163           164           165 
      1   0.405825D+00  0.736723D-01 -0.197759D+01 -0.189760D+01 -0.459674D+00
      2  -0.928375D+00 -0.211274D+00 -0.189760D+01 -0.210059D+01 -0.620974D+00
      3  -0.211274D+00 -0.151070D+00 -0.459674D+00 -0.620974D+00 -0.444538D+00
               166           167           168           169           170 
      1  -0.193998D+01 -0.237007D+01 -0.531128D+00 -0.678616D+00 -0.751306D+00
      2  -0.237007D+01 -0.725703D+01 -0.166733D+01 -0.751306D+00 -0.175311D+01
      3  -0.531128D+00 -0.166733D+01 -0.122478D+01 -0.101241D+00 -0.475227D+00
               171 
      1  -0.101241D+00
      2  -0.475227D+00
      3  -0.405516D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.137899D+00 -0.116952D+00  0.725968D+00  0.186303D+00 -0.146948D+00
      2  -0.375336D+00 -0.131228D+00  0.434508D+01 -0.910193D+00  0.402639D+01
      3   0.460941D+01 -0.883043D+01  0.656430D+00  0.182191D+01  0.737593D+01
                 6             7             8             9            10 
      1  -0.952250D+00 -0.403574D+01  0.628561D+01  0.807076D+01 -0.208213D+01
      2   0.280230D+01 -0.100228D+01  0.382825D+01  0.111897D+02  0.115074D+01
      3  -0.555496D+01 -0.143765D-01 -0.626343D+01 -0.243262D+01  0.668935D+01
                11            12            13            14            15 
      1  -0.210141D+00  0.830777D+00 -0.131913D+01 -0.112990D+00  0.482286D+00
      2   0.144553D+01 -0.850508D+00  0.396400D+01  0.927392D+00 -0.623010D+01
      3   0.191766D+01 -0.318066D+00  0.130817D+02 -0.676904D+01  0.129856D+01
                16            17            18            19            20 
      1   0.422498D+01  0.506732D+01 -0.740199D+00 -0.454336D+00  0.368990D+00
      2  -0.146971D+02 -0.684773D+01 -0.718123D+01 -0.203619D+01  0.698287D+00
      3  -0.638614D+00 -0.136414D+01  0.597541D+01  0.217217D+01 -0.404893D+00
                21            22            23            24            25 
      1   0.546241D+00  0.939201D+00 -0.283644D+01 -0.374255D+01  0.285161D+01
      2   0.116359D+01  0.839416D+00 -0.317993D+01 -0.438503D+01  0.849883D+00
      3   0.633332D-01  0.415242D+00  0.457267D+01  0.280071D+01  0.492799D-01
                26            27            28            29            30 
      1  -0.285904D+01 -0.879327D+01 -0.606279D+00  0.106410D+01 -0.589428D+00
      2  -0.595741D+01 -0.111014D+02  0.150524D+01  0.319254D+00  0.271330D+01
      3   0.687003D+01  0.510591D+01 -0.157710D+01 -0.322979D+01 -0.229999D+00
                31            32            33            34            35 
      1   0.109484D+01  0.709675D+00 -0.887422D+00 -0.105526D+01  0.222721D+01
      2  -0.374315D+00  0.131396D+01  0.405979D+01  0.137710D+01  0.275494D+01
      3  -0.190167D+01 -0.137332D+01 -0.293859D+01 -0.424836D-01 -0.301087D+01
                36            37            38            39            40 
      1  -0.128903D+01  0.375216D+01 -0.202323D+01 -0.230710D+01  0.586755D+00
      2   0.118662D+02 -0.109022D+02 -0.365047D+01  0.623097D+01 -0.538177D+01
      3  -0.352892D+01 -0.764760D+01 -0.128332D+02 -0.535652D-02 -0.768774D+01
                41            42            43            44            45 
      1   0.629671D+01 -0.648590D+01 -0.122943D+01 -0.255028D+01 -0.657236D+01
      2  -0.422419D-01  0.720708D+01  0.166665D+01  0.702772D+01  0.119818D+02
      3   0.153647D+02 -0.603726D-01  0.170516D+01 -0.726659D+00 -0.635868D+01
                46            47            48            49            50 
      1   0.850917D+00 -0.895346D+00 -0.416520D+00 -0.321970D+01 -0.162703D+01
      2   0.332985D-01 -0.171910D+01 -0.131647D+01 -0.156293D+01  0.483842D+00
      3  -0.734110D+01  0.601185D+01  0.663400D+00  0.153286D+02 -0.248627D+00
                51            52            53            54            55 
      1   0.713141D+00  0.985783D+00  0.101283D+02  0.240726D+01  0.985075D+00
      2   0.929269D+00 -0.121484D+02  0.528211D+00  0.137126D+00 -0.193801D+01
      3   0.189522D+00 -0.386978D+00  0.244277D+01 -0.971892D+00  0.967420D+00
                56            57            58            59            60 
      1   0.105866D+01  0.859614D+00  0.156850D+00  0.242726D+01  0.201732D+01
      2  -0.451646D-01 -0.236649D+01 -0.233857D+00 -0.271041D+01 -0.535269D+01
      3   0.111694D+01 -0.762634D+00  0.122798D+01  0.117149D+01  0.270221D+01
                61            62            63            64            65 
      1  -0.443907D+00  0.505634D+01  0.916363D+01 -0.173078D+01  0.142867D+01
      2  -0.244116D+01 -0.243222D+01 -0.175745D+02 -0.309340D+00  0.117084D+01
      3  -0.108373D+01  0.391369D+01  0.262224D+01 -0.597461D+01  0.568909D+01
                66            67            68            69            70 
      1   0.161057D+01  0.129791D+01 -0.529856D+01 -0.305240D+01  0.658923D+00
      2  -0.897766D+00  0.126398D+01 -0.239847D+01  0.209450D+01 -0.149578D+01
      3   0.130345D+00  0.784381D+01 -0.198790D+02  0.123525D+01  0.818793D+00
                71            72            73            74            75 
      1   0.447282D+00  0.213929D+00 -0.496338D+00 -0.883748D+00 -0.185071D+01
      2   0.125020D+01 -0.125506D+01  0.712149D+01  0.749881D+00  0.640432D+01
      3   0.607130D+00 -0.228250D+01  0.870981D+01 -0.487271D+01  0.443699D+00
                76            77            78            79            80 
      1  -0.670233D+00 -0.617247D+00 -0.390684D+00 -0.122320D+01  0.684201D+00
      2   0.113449D+01  0.570210D+00 -0.443405D+00  0.217766D+01 -0.407311D+00
      3  -0.658869D+00 -0.176208D+01 -0.209672D+00  0.281135D+00 -0.995861D+00
                81            82            83            84            85 
      1  -0.124259D-01 -0.114935D+01  0.728122D-01  0.195720D+01 -0.998467D+00
      2   0.770203D+00  0.246941D+01 -0.840062D-01 -0.542477D+00  0.315788D+01
      3   0.159798D+01  0.777622D+01 -0.123303D+01  0.151723D+01  0.646779D+01
                86            87            88            89            90 
      1  -0.955287D-01 -0.224959D+01  0.565190D+01  0.250029D+01  0.291665D-01
      2   0.109088D+01  0.963147D+00 -0.126185D+02  0.378773D+00 -0.538961D+00
      3  -0.570682D+01  0.432318D+00  0.190665D+01 -0.117497D+01 -0.543846D+01
                91            92            93            94            95 
      1   0.119820D+01  0.634540D+00 -0.123627D+01  0.932316D+00 -0.635294D-01
      2   0.156573D-01  0.116815D+01  0.633929D+00  0.101384D+01 -0.257114D+01
      3  -0.376235D+01 -0.103313D+02 -0.182867D+01  0.492951D+01 -0.210950D+01
                96            97            98            99           100 
      1  -0.211224D+01 -0.555644D+01  0.155613D+01 -0.786885D+00  0.101384D+00
      2   0.407087D+01 -0.719891D+01  0.958570D+01  0.359536D+01 -0.141847D+00
      3   0.152457D+01 -0.469062D+00  0.174424D+01 -0.505934D+01  0.646022D+00
               101           102           103           104           105 
      1  -0.101159D+01 -0.431536D+00 -0.119921D+01 -0.254951D+01  0.107861D+01
      2   0.462886D-01  0.609079D+01 -0.345400D+01  0.486506D-01 -0.483208D+00
      3  -0.657421D+01 -0.111127D+00  0.116059D+02  0.349859D+01  0.171520D+01
               106           107           108           109           110 
      1  -0.916219D+00  0.113777D+02  0.185771D+01 -0.107758D+01  0.521552D-01
      2   0.778462D+01  0.528206D+00  0.175260D+01 -0.519242D+00  0.233620D+01
      3   0.355249D+01  0.104929D+01  0.931690D+00 -0.133283D+01 -0.132438D+02
               111           112           113           114           115 
      1   0.188482D+01 -0.147549D+01  0.333136D+00 -0.185042D+01  0.669894D+01
      2   0.218980D+01 -0.826371D+00  0.268075D+01 -0.393471D+01 -0.527641D+01
      3  -0.217884D+01  0.403963D+01 -0.140288D+01 -0.177168D+01 -0.429558D+00
               116           117           118           119           120 
      1   0.251002D+01  0.158391D+01  0.259395D+00  0.871007D+00 -0.145693D+01
      2  -0.101949D+02 -0.256599D+01  0.317670D+01  0.144903D+01 -0.464707D+00
      3  -0.400515D+01  0.386666D+01  0.163641D+00 -0.166489D+01 -0.183866D+01
               121           122           123           124           125 
      1   0.145839D+01 -0.722822D+00 -0.215528D+01 -0.567414D+01  0.230118D+01
      2   0.124546D+01 -0.142259D+01 -0.150524D+01 -0.131849D+02 -0.103110D+01
      3   0.873613D+00  0.791671D+01  0.250227D+00 -0.406575D+01 -0.385054D+00
               126           127           128           129           130 
      1  -0.128318D+01  0.231254D+00 -0.518347D+00  0.157286D+01  0.243967D+00
      2  -0.322014D+01  0.768015D+00 -0.428200D+00  0.183962D+00 -0.477276D+00
      3   0.587481D+01 -0.120131D+02  0.441582D+01  0.480219D+00  0.652733D+01
               131           132           133           134           135 
      1  -0.186733D-01 -0.331392D+01 -0.650729D+00  0.180460D+01  0.902077D-01
      2   0.892903D+00 -0.763369D+00 -0.145502D+01  0.388746D+00 -0.100270D+00
      3  -0.628139D+01 -0.685088D+00 -0.684727D+00  0.359987D+00  0.281780D+00
               136           137           138           139           140 
      1  -0.228155D+00 -0.159649D-01 -0.194609D+01 -0.800651D-01  0.540062D+00
      2   0.509703D+00  0.834253D+00  0.210609D+01  0.595283D+00  0.249949D+01
      3  -0.947261D+00 -0.307945D+01 -0.519183D+00 -0.187504D+01 -0.127566D+02
               141           142           143           144           145 
      1  -0.403980D+01  0.630285D+00  0.179531D+01 -0.482977D+00 -0.827310D-01
      2   0.350903D+01 -0.449558D+00 -0.195946D+00  0.629877D+00  0.178446D+01
      3  -0.218263D+01 -0.444606D+00 -0.252177D+01 -0.305542D+00  0.155657D+00
               146           147           148           149           150 
      1   0.450096D+00 -0.214418D+00  0.223656D+00 -0.881857D-02 -0.295965D+00
      2  -0.131279D+00  0.643708D+01  0.119980D+01  0.326015D+00  0.391201D+00
      3  -0.523999D+01  0.217708D+00 -0.376992D+01 -0.297465D+00 -0.406239D+00
               151           152           153           154           155 
      1   0.615208D-01  0.472593D+00 -0.259131D-01  0.257587D+00 -0.597186D+00
      2  -0.235795D+01  0.885126D-01  0.673060D+00  0.286507D+00 -0.346415D+00
      3  -0.114477D+01 -0.587260D+00 -0.277353D+00  0.105284D+01 -0.424705D+01
               156           157           158           159           160 
      1   0.208013D+01  0.235122D+00  0.203992D+00 -0.365463D+01 -0.836503D+00
      2   0.236230D+01  0.410823D+00 -0.913294D+00 -0.329170D+01 -0.642689D+00
      3  -0.263049D-01 -0.280464D+01  0.117535D+02  0.957021D+00 -0.676263D+00
               161           162           163           164           165 
      1   0.147538D+01 -0.278388D+00  0.409598D+00  0.271480D+00 -0.161918D+01
      2   0.575408D+00 -0.274632D+00 -0.153601D+01 -0.101041D+01  0.155233D+00
      3   0.183099D+01  0.301652D+00  0.698135D+01  0.416568D+01  0.974323D+00
               166           167           168           169           170 
      1   0.543932D+00  0.915823D+00 -0.368632D+01  0.529721D+00  0.218768D+01
      2  -0.160427D+01 -0.162241D+01  0.362260D+00 -0.180383D+01 -0.541441D+00
      3   0.745147D+01  0.760652D+01  0.176728D+01  0.176741D+01  0.221705D+01
               171 
      1  -0.479781D+00
      2   0.152704D+00
      3   0.971887D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.191008D+02 -0.424724D+01  0.304921D+01 -0.768594D+01  0.217521D+01
      2  -0.761822D+01 -0.125496D+01 -0.144166D+01 -0.237801D+00  0.898134D+01
      3  -0.114825D+02  0.550221D+01 -0.160755D+01  0.792374D+01 -0.111566D+02
      4  -0.144762D+02  0.174164D+02 -0.554671D+01  0.217034D+02 -0.196018D+02
      5   0.518827D+01 -0.467538D+01  0.792722D+01 -0.817652D+01  0.113584D+02
      6  -0.315161D+01  0.187165D+01 -0.274801D+01  0.343720D+01 -0.854369D+01
                 6             7             8             9            10 
      1   0.621506D+00  0.347764D+01  0.189808D+01  0.168209D+01  0.812357D+01
      2  -0.277927D+01 -0.215540D+01 -0.425278D+01 -0.709750D+01 -0.264048D+01
      3   0.215776D+01 -0.132224D+01  0.235471D+01  0.541542D+01 -0.548309D+01
      4   0.114137D+02 -0.943084D+01  0.139469D+02  0.326081D+01 -0.609384D+01
      5   0.405260D+01  0.704083D+01  0.293079D+01  0.227227D+02  0.195656D-01
      6   0.398139D+01  0.728122D+00  0.189280D+00 -0.131569D+02  0.133560D+01
                11            12            13            14            15 
      1   0.127231D+01 -0.114118D+01  0.390711D+01 -0.733919D+01  0.393459D+01
      2   0.155043D+01  0.652472D+00  0.346780D+01  0.313333D+01 -0.252371D+00
      3  -0.282275D+01  0.488707D+00 -0.737491D+01  0.420586D+01 -0.368222D+01
      4  -0.154591D+02  0.402636D+01 -0.259908D+02  0.492498D+01 -0.242690D+01
      5   0.434339D+01 -0.104162D+02  0.890210D+01 -0.257412D+01 -0.148212D+02
      6   0.203477D+01 -0.177973D+01  0.120314D+01  0.463482D+01 -0.873856D+01
                16            17            18            19            20 
      1   0.113089D+02  0.416518D+01 -0.245734D+00  0.311362D+01 -0.323607D+01
      2   0.128976D+01  0.287980D+01  0.822867D+01 -0.149599D+01  0.106936D+01
      3  -0.125987D+02 -0.704498D+01 -0.798294D+01 -0.161763D+01  0.216671D+01
      4   0.991099D+01  0.332850D+01 -0.164824D+02 -0.414025D+01  0.250677D+01
      5  -0.195702D+02 -0.151845D+02 -0.197308D+02 -0.224838D+01  0.159322D+01
      6  -0.987213D+01 -0.403689D+01 -0.436931D+01  0.138821D+01 -0.403303D-01
                21            22            23            24            25 
      1  -0.253571D+01 -0.368801D+01 -0.293661D+01 -0.127854D+01 -0.490625D+01
      2   0.666064D+00  0.408512D+00  0.553100D+01  0.295484D+01  0.213880D+01
      3   0.186964D+01  0.327949D+01 -0.259439D+01 -0.167630D+01  0.276745D+01
      4   0.223917D+01  0.581048D+01 -0.103220D+02 -0.576012D+01  0.778217D+01
      5   0.256150D+01  0.258380D+01 -0.532302D+01 -0.764006D+01  0.701971D+01
      6  -0.712405D+00 -0.158395D+01  0.445325D+01  0.670437D+01 -0.382213D+01
                26            27            28            29            30 
      1  -0.110058D+01 -0.270728D+01  0.436265D+01  0.115601D+01  0.392215D+01
      2   0.335626D+01  0.193531D+01 -0.587433D+01 -0.115791D+01 -0.438054D+01
      3  -0.225568D+01  0.771969D+00  0.151168D+01  0.189772D-02  0.458387D+00
      4  -0.133970D+02 -0.106912D+02  0.429469D+01  0.611656D+01  0.202422D+01
      5  -0.102441D+02 -0.202001D+02  0.940279D+01  0.201916D+01  0.116912D+02
      6   0.840897D+01  0.127146D+02  0.251700D+01  0.255506D+00  0.163615D+01
                31            32            33            34            35 
      1   0.124618D+01 -0.199419D+01 -0.321976D+01  0.274482D+01 -0.287015D+01
      2  -0.248240D+01 -0.352615D+00 -0.592389D+00 -0.818613D+01 -0.212444D+01
      3   0.123622D+01  0.234681D+01  0.381215D+01  0.544131D+01  0.499459D+01
      4   0.943447D+01  0.554828D+01  0.634274D+01  0.340402D+01  0.685125D+01
      5   0.361846D+01  0.605957D+01  0.945470D+01  0.179149D+02  0.786259D+01
      6   0.245293D+01  0.471167D+01  0.858513D+01  0.483990D+01  0.643758D+01
                36            37            38            39            40 
      1  -0.101707D+02 -0.524178D+02 -0.147244D+02 -0.165485D+01 -0.715039D+01
      2  -0.136953D+02  0.220422D+02  0.139628D+02  0.389386D+01  0.638583D+01
      3   0.238660D+02  0.303756D+02  0.761545D+00 -0.223901D+01  0.764561D+00
      4   0.813064D+01 -0.159382D+02  0.117507D+02 -0.443472D+01  0.172717D+02
      5   0.309429D+02 -0.279993D+01 -0.208156D+01  0.974023D+01 -0.752181D+01
      6   0.102436D+02 -0.397129D+01 -0.562355D+01  0.370284D+01 -0.593485D+01
                41            42            43            44            45 
      1   0.199623D+02  0.193120D+01 -0.118082D+02 -0.226237D+00  0.116170D+02
      2  -0.215064D+02  0.580604D+01  0.579932D+01  0.369681D+01  0.776361D+01
      3   0.154415D+01 -0.773724D+01  0.600893D+01 -0.347057D+01 -0.193806D+02
      4  -0.730793D+01 -0.291400D+01 -0.145496D+02 -0.437248D+01  0.179562D+02
      5  -0.583520D+01  0.142297D+02  0.138594D+02  0.148484D+02  0.164282D+02
      6  -0.265040D+00  0.621929D+01  0.747487D+01  0.615769D+01 -0.153567D+01
                46            47            48            49            50 
      1  -0.191630D+02  0.360126D-01  0.581029D-01  0.161745D+01 -0.851601D+01
      2   0.600887D+01 -0.664864D+00 -0.222873D+00 -0.196539D+01  0.130411D+02
      3   0.131542D+02  0.628851D+00  0.164770D+00  0.347936D+00 -0.452507D+01
      4   0.113313D+02  0.465241D+01  0.468232D+00 -0.122377D+02 -0.225123D+01
      5  -0.807654D+00 -0.367192D-01  0.660162D+00 -0.340057D+01 -0.936249D+00
      6  -0.109545D+01  0.285488D+00  0.124261D+00 -0.251158D+01  0.266286D+01
                51            52            53            54            55 
      1  -0.203742D+00 -0.659992D+01 -0.111145D+01 -0.969870D+01  0.322403D+01
      2   0.387730D+01  0.130136D+01  0.165865D+01 -0.369671D+01 -0.373746D+01
      3  -0.367356D+01  0.529856D+01 -0.547204D+00  0.133954D+02  0.513430D+00
      4  -0.153951D+01 -0.328145D+01 -0.170155D+01  0.295341D+01  0.402956D+00
      5   0.169656D+01  0.309590D+01  0.215766D+01 -0.594471D-01 -0.219588D+01
      6  -0.167904D+01 -0.881305D+00  0.461636D+01 -0.372158D+01  0.143435D+00
                56            57            58            59            60 
      1   0.625730D+00 -0.587574D+01 -0.254334D+01 -0.457849D+01 -0.232625D+01
      2  -0.126242D+01  0.496839D+00  0.205673D+01  0.100652D+01 -0.539171D+01
      3   0.636694D+00  0.537890D+01  0.486604D+00  0.357197D+01  0.771797D+01
      4  -0.204873D+01 -0.396321D+00 -0.431128D+00 -0.361224D+01 -0.486744D+01
      5   0.940962D+00  0.954279D-01  0.417855D+01 -0.365322D+01 -0.979061D+01
      6   0.164156D+01 -0.987263D+00  0.862365D-01  0.230361D+01  0.329272D+01
                61            62            63            64            65 
      1  -0.594959D+01 -0.753731D+00 -0.159922D+02 -0.142590D+01  0.908933D+01
      2   0.461014D+01 -0.406304D+01 -0.169008D+02  0.406034D+01 -0.977471D+01
      3   0.133945D+01  0.481677D+01  0.328930D+02 -0.263444D+01  0.685381D+00
      4  -0.186951D+01 -0.730492D+01 -0.542723D+01  0.104590D+01 -0.273930D+01
      5   0.840140D+01 -0.308883D+01 -0.303470D+02  0.170567D+01 -0.311573D+00
      6   0.798282D+00  0.440807D+01 -0.684321D+01 -0.166259D+00  0.285710D+01
                66            67            68            69            70 
      1  -0.100501D+01  0.933940D+01 -0.241265D+02  0.231258D+01  0.153384D+01
      2  -0.984766D-01 -0.648894D+01  0.364808D+02 -0.130604D+01 -0.870904D+00
      3   0.110348D+01 -0.285046D+01 -0.123543D+02 -0.100655D+01 -0.662934D+00
      4   0.115653D+01  0.446209D+01  0.278955D+02 -0.254894D+01  0.208461D+01
      5  -0.201731D+01 -0.291488D+01 -0.458631D+00  0.412565D+01  0.152776D+00
      6  -0.265814D+01  0.574246D+00 -0.971838D+01  0.643586D+01 -0.138616D+01
                71            72            73            74            75 
      1   0.178366D+01 -0.516562D+01  0.819729D+02  0.102609D+02  0.201638D+01
      2  -0.510671D+00  0.267274D+01 -0.393235D+02 -0.220897D+01  0.680012D+00
      3  -0.127299D+01  0.249288D+01 -0.426495D+02 -0.805198D+01 -0.269639D+01
      4  -0.318528D+00  0.129295D+01  0.305979D+02  0.154493D+02 -0.225346D+00
      5   0.190581D+01 -0.185809D+01 -0.967843D+01 -0.191223D+01  0.109355D+02
      6   0.590951D+01 -0.102838D+01 -0.620122D+00 -0.158801D+01  0.344779D+01
                76            77            78            79            80 
      1   0.237454D+01  0.493265D+01  0.122707D+00  0.100900D+02  0.893832D+00
      2   0.125283D+01  0.374714D+00 -0.480185D+00 -0.407266D+01 -0.493627D-01
      3  -0.362737D+01 -0.530737D+01  0.357478D+00 -0.601739D+01 -0.844469D+00
      4   0.118617D+02  0.647697D+01  0.600963D+00  0.445492D+01  0.313231D+01
      5   0.407563D+00 -0.837136D-01 -0.693044D+00  0.928608D+01  0.164663D+00
      6  -0.669379D+00 -0.622986D+00  0.792504D+00  0.275611D+01  0.729735D+00
                81            82            83            84            85 
      1   0.587718D+01  0.423748D+01  0.156377D+02  0.491044D+01 -0.174218D+01
      2  -0.497109D+01 -0.479209D+01 -0.116857D+02 -0.198759D+01  0.104344D+02
      3  -0.906097D+00  0.554612D+00 -0.395200D+01 -0.292285D+01 -0.869219D+01
      4   0.104941D+01  0.861029D+01 -0.114393D+02  0.241462D-01  0.444445D+01
      5   0.787692D+00  0.210869D+01 -0.120083D+00 -0.512027D+00  0.189799D+01
      6   0.760873D+00  0.312040D+01 -0.361485D+01 -0.420641D+01  0.543240D+01
                86            87            88            89            90 
      1   0.348038D+01  0.242270D+01  0.104231D+01  0.443402D+01 -0.150518D+02
      2  -0.794919D+01 -0.185219D+01  0.216477D+01 -0.591135D+01  0.319699D+01
      3   0.446882D+01 -0.570512D+00 -0.320708D+01  0.147733D+01  0.118548D+02
      4   0.141729D+02  0.198630D+01  0.104498D+01 -0.176392D+01  0.271636D+01
      5   0.189552D+01  0.665738D+00  0.395927D+01  0.285356D+01 -0.168034D+01
      6  -0.318188D+01  0.545573D+01 -0.363032D+01  0.148265D+02  0.721269D+00
                91            92            93            94            95 
      1   0.313812D+01 -0.216442D+02 -0.233103D+01  0.244014D+02  0.107480D+02
      2  -0.330465D+01  0.148520D+02  0.127373D+01 -0.217357D+02 -0.135375D+02
      3   0.166528D+00  0.679221D+01  0.105730D+01 -0.266567D+01  0.278952D+01
      4  -0.123069D+02 -0.508379D+01 -0.528607D+01  0.708397D+01 -0.383720D+01
      5  -0.431503D+01 -0.488238D+01 -0.604904D+00 -0.980994D-02 -0.501357D+01
      6  -0.553868D+01 -0.176878D+01  0.327866D+01 -0.419752D+01 -0.826903D+01
                96            97            98            99           100 
      1   0.269933D+01  0.242684D+01 -0.310457D+01 -0.456334D+01 -0.821747D+01
      2  -0.519535D+01 -0.630679D+01 -0.477189D+01 -0.480222D+01  0.586684D+01
      3   0.249602D+01  0.387995D+01  0.787646D+01  0.936557D+01  0.235062D+01
      4  -0.470541D+01 -0.493905D+01 -0.889689D+01  0.150609D+02 -0.141385D+01
      5   0.877077D+01  0.129126D+02  0.154568D+02  0.730403D+01 -0.759684D+01
      6   0.360495D+01  0.655043D+01  0.138156D+02  0.287969D+01  0.955265D+00
               101           102           103           104           105 
      1  -0.537776D+00 -0.624131D+01  0.401075D+01 -0.223164D+02 -0.649016D+01
      2   0.444464D+00  0.382904D+01 -0.220631D+01  0.185080D+02  0.775107D+01
      3   0.933122D-01  0.241228D+01 -0.180444D+01  0.380838D+01 -0.126091D+01
      4   0.220165D+02  0.127062D+01 -0.203184D+02 -0.631589D+01 -0.369535D+01
      5   0.115694D+01  0.134199D+02 -0.980464D+01 -0.260266D+01 -0.142726D+01
      6   0.837170D+00  0.105380D+01 -0.300502D+01  0.312173D+01 -0.237825D+01
               106           107           108           109           110 
      1  -0.101522D+02 -0.687667D+01  0.146157D+02  0.323445D+01  0.222023D+02
      2   0.407990D+01  0.584289D+01 -0.179951D+02 -0.534887D+01 -0.139194D+02
      3   0.607227D+01  0.103377D+01  0.337938D+01  0.211442D+01 -0.828293D+01
      4  -0.107408D+02  0.625285D+00 -0.776608D+00  0.184009D+02  0.264397D+01
      5   0.346819D+02  0.275034D+00  0.499988D+01  0.282401D+00  0.407040D+01
      6   0.191510D+00  0.433294D+01 -0.290603D+01  0.230620D+01 -0.323815D+01
               111           112           113           114           115 
      1   0.469725D+01 -0.241561D+02  0.753045D+01  0.879219D+00 -0.698868D+01
      2  -0.791757D+00  0.224415D+02 -0.114185D+02 -0.908164D+00  0.784516D+01
      3  -0.390549D+01  0.171456D+01  0.388802D+01  0.289449D-01 -0.856489D+00
      4   0.450293D+01  0.637118D+01  0.111326D+02  0.752208D+01  0.267299D+01
      5   0.484995D+01 -0.349353D+01  0.665152D+01 -0.810143D+01  0.173766D+02
      6  -0.479204D+01  0.585584D+01 -0.500089D+01  0.465899D+01 -0.779073D+01
               116           117           118           119           120 
      1   0.628398D+01  0.717244D+00  0.575621D+01 -0.132209D+02 -0.471734D-01
      2  -0.832082D+01 -0.617903D+01 -0.510196D+01  0.113238D+02 -0.503565D+00
      3   0.203684D+01  0.546178D+01 -0.654243D+00  0.189710D+01  0.550738D+00
      4   0.697941D+01 -0.150784D+02 -0.117238D+02 -0.174288D+02 -0.396968D+01
      5  -0.153504D+02 -0.635352D+01 -0.367465D+00 -0.385561D+01 -0.312903D+01
      6   0.131062D+02 -0.160907D+01 -0.297129D+01 -0.165196D+01  0.335814D+01
               121           122           123           124           125 
      1   0.131796D+01  0.764713D+01  0.475960D+01  0.154291D+01  0.178221D+01
      2  -0.883302D+01 -0.104676D+02 -0.580071D+01 -0.424297D+01 -0.706352D+01
      3   0.751506D+01  0.282046D+01  0.104111D+01  0.270006D+01  0.528131D+01
      4   0.114734D+02 -0.123355D+02 -0.144527D+01  0.722569D-01 -0.449004D+01
      5   0.511008D+00 -0.166535D+01 -0.109995D+01  0.156723D+00 -0.469560D+01
      6  -0.460232D+01 -0.883347D+01  0.262702D+01  0.382387D+01  0.126429D+02
               126           127           128           129           130 
      1  -0.153491D+02 -0.276131D+01  0.736712D+01 -0.198383D+00  0.840166D+01
      2   0.880535D+00  0.574211D+01 -0.105228D+02  0.931373D-01 -0.114226D+02
      3   0.144686D+02 -0.298081D+01  0.315571D+01  0.105246D+00  0.302092D+01
      4  -0.584676D+01 -0.955129D+01  0.769098D+01  0.800749D+00  0.683538D+01
      5  -0.542801D+01 -0.896556D+00  0.736834D+00  0.738153D+00  0.759763D+00
      6   0.535062D+01  0.408611D+00  0.684475D-01 -0.184846D+01 -0.901462D+00
               131           132           133           134           135 
      1  -0.245552D+02 -0.190780D+01  0.483764D-01 -0.164801D+01 -0.598704D+00
      2   0.335879D+02  0.154151D+01 -0.345818D+00  0.231983D+01  0.110124D+01
      3  -0.903269D+01  0.366288D+00  0.297441D+00 -0.671814D+00 -0.502536D+00
      4  -0.685630D+01 -0.451854D+00 -0.564207D-01  0.209924D+00 -0.132151D+01
      5  -0.987978D+00 -0.854417D+00  0.513614D+00 -0.741151D+00  0.267239D-01
      6   0.232874D+01  0.540499D+01 -0.319265D+00  0.142809D+01  0.422845D+00
               136           137           138           139           140 
      1   0.837545D+01  0.646584D+01  0.123459D+01  0.137339D+01 -0.975099D+01
      2   0.175976D+01  0.430885D+01 -0.509372D-01  0.100397D+02  0.304276D+02
      3  -0.101352D+02 -0.107747D+02 -0.118365D+01 -0.114131D+02 -0.206766D+02
      4   0.217838D+02  0.248229D+02  0.513539D+01  0.265210D+02  0.461864D+02
      5   0.475698D+01  0.499349D+01  0.525434D+01  0.495789D+01  0.789682D+01
      6   0.344706D+01  0.388893D+01  0.332692D+01  0.482252D+01  0.101663D+02
               141           142           143           144           145 
      1  -0.206498D+01  0.111343D+01 -0.112931D+01 -0.126162D+01  0.972320D+02
      2   0.361612D+01  0.131126D+01  0.463435D+01  0.201454D+01 -0.559245D+02
      3  -0.155114D+01 -0.242469D+01 -0.350505D+01 -0.752921D+00 -0.413075D+02
      4   0.825898D+01  0.639269D+01  0.974245D+01  0.333209D+01  0.346757D+01
      5   0.628462D+01  0.222164D+01  0.278895D+01  0.204749D+01  0.121937D+02
      6   0.823422D+01  0.203766D+01  0.432621D+01  0.266534D+01 -0.194451D+01
               146           147           148           149           150 
      1   0.276763D+01  0.801493D+01  0.156029D+01  0.904165D+01  0.126829D+01
      2  -0.137055D+01 -0.563847D+01 -0.749660D+00 -0.450944D+01 -0.111089D+01
      3  -0.139707D+01 -0.237646D+01 -0.810634D+00 -0.453221D+01 -0.157404D+00
      4   0.858297D+01 -0.503932D-01  0.142433D+02  0.112523D+01  0.135759D+01
      5   0.224389D-01  0.115020D+02  0.243448D+01  0.144371D+01  0.658577D+00
      6   0.567770D+00  0.159040D-01  0.103320D+01 -0.183557D+00  0.150844D+01
               151           152           153           154           155 
      1   0.112651D+02  0.148553D+01  0.366307D+01  0.150678D+02 -0.100534D+02
      2  -0.673266D+01 -0.945126D+00 -0.253043D+01 -0.562635D+00 -0.340570D+01
      3  -0.453239D+01 -0.540407D+00 -0.113264D+01 -0.145052D+02  0.134591D+02
      4   0.252977D+01  0.116704D+01  0.559276D+00 -0.280073D+02  0.285829D+02
      5   0.398809D+01  0.391475D+00  0.237796D+01 -0.335013D+01  0.246050D+01
      6   0.535821D-01  0.771058D+00  0.308413D+00  0.107047D+01 -0.887157D+00
               156           157           158           159           160 
      1  -0.130445D+01 -0.564759D+01 -0.169189D+01  0.117307D+00  0.411355D+00
      2   0.358141D+00 -0.853874D+01  0.229815D+02  0.995991D+00 -0.141984D+01
      3   0.946304D+00  0.141863D+02 -0.212896D+02 -0.111330D+01  0.100848D+01
      4   0.230284D+01  0.312268D+02 -0.461074D+02 -0.509263D+01  0.291843D+01
      5   0.507682D+01  0.436780D+01 -0.566476D+01 -0.576035D+01  0.167864D+01
      6  -0.295401D+01 -0.271093D+01  0.417430D+01  0.627715D+01 -0.137721D+01
               161           162           163           164           165 
      1  -0.100166D+01 -0.813648D+00 -0.519276D+01 -0.742681D+01 -0.273725D+01
      2   0.267815D+01  0.136216D+01  0.636412D+01  0.882119D+01  0.175709D+01
      3  -0.167649D+01 -0.548513D+00 -0.117136D+01 -0.139438D+01  0.980154D+00
      4  -0.482648D+01 -0.251552D+01  0.505904D+01  0.690541D+01  0.130119D+01
      5  -0.168277D+01 -0.848992D+00  0.721495D+00  0.881336D+00  0.138244D+01
      6   0.263869D+01  0.131669D+01  0.276696D+01  0.410440D+01  0.274201D+01
               166           167           168           169           170 
      1  -0.783173D+01 -0.276715D+02 -0.713989D+01 -0.201619D+01 -0.646621D+01
      2   0.996351D+01  0.356059D+02  0.625057D+01  0.237721D+01  0.738417D+01
      3  -0.213177D+01 -0.793442D+01  0.889321D+00 -0.361017D+00 -0.917962D+00
      4   0.605539D+01  0.242727D+01  0.882830D-01  0.159983D+01  0.108878D+01
      5   0.702351D+00 -0.507030D+00  0.249438D+00  0.113067D+01  0.694204D+00
      6   0.334253D+01  0.114048D+02  0.816856D+01  0.116758D+01  0.423031D+01
               171 
      1  -0.265743D+01
      2   0.260872D+01
      3   0.487091D-01
      4   0.182758D+01
      5   0.991997D+00
      6   0.312937D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Aug 13 11:08:11 2021, MaxMem=  5368709120 cpu:            9251.2 elap:            1157.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.26931 -10.35895 -10.30956 -10.30431 -10.30326
 Alpha  occ. eigenvalues --  -10.30312 -10.30147 -10.30001 -10.29776  -1.12140
 Alpha  occ. eigenvalues --   -0.95770  -0.87599  -0.84195  -0.82171  -0.73572
 Alpha  occ. eigenvalues --   -0.69856  -0.67986  -0.62395  -0.57519  -0.56779
 Alpha  occ. eigenvalues --   -0.53719  -0.53185  -0.52505  -0.51023  -0.48451
 Alpha  occ. eigenvalues --   -0.46735  -0.45678  -0.44101  -0.42711  -0.41717
 Alpha  occ. eigenvalues --   -0.37116  -0.33522  -0.32638
 Alpha virt. eigenvalues --    0.05139   0.05696   0.08194   0.10182   0.10797
 Alpha virt. eigenvalues --    0.12357   0.12828   0.13624   0.14446   0.15855
 Alpha virt. eigenvalues --    0.17195   0.17752   0.19521   0.19901   0.21312
 Alpha virt. eigenvalues --    0.21478   0.21556   0.22865   0.22992   0.23659
 Alpha virt. eigenvalues --    0.24221   0.24998   0.26067   0.27078   0.27963
 Alpha virt. eigenvalues --    0.28427   0.29508   0.30025   0.31649   0.31818
 Alpha virt. eigenvalues --    0.32462   0.32782   0.33668   0.34080   0.34786
 Alpha virt. eigenvalues --    0.36258   0.37049   0.37167   0.38044   0.38589
 Alpha virt. eigenvalues --    0.39063   0.39700   0.40421   0.41287   0.41898
 Alpha virt. eigenvalues --    0.42075   0.42671   0.43230   0.43850   0.44418
 Alpha virt. eigenvalues --    0.45097   0.45455   0.46052   0.46486   0.46987
 Alpha virt. eigenvalues --    0.47145   0.47829   0.48825   0.49203   0.49625
 Alpha virt. eigenvalues --    0.49900   0.50136   0.50595   0.51040   0.51776
 Alpha virt. eigenvalues --    0.52764   0.53194   0.53694   0.54413   0.55497
 Alpha virt. eigenvalues --    0.56831   0.57506   0.58259   0.58799   0.59565
 Alpha virt. eigenvalues --    0.59956   0.61127   0.61549   0.62461   0.64047
 Alpha virt. eigenvalues --    0.64464   0.65072   0.66447   0.66513   0.67058
 Alpha virt. eigenvalues --    0.68239   0.69207   0.70439   0.71123   0.71646
 Alpha virt. eigenvalues --    0.73534   0.73753   0.74893   0.75181   0.76310
 Alpha virt. eigenvalues --    0.77737   0.79165   0.80697   0.81625   0.82976
 Alpha virt. eigenvalues --    0.83465   0.84607   0.85379   0.87049   0.88271
 Alpha virt. eigenvalues --    0.89265   0.89963   0.92089   0.95950   0.97290
 Alpha virt. eigenvalues --    0.98157   1.00855   1.02690   1.03784   1.04612
 Alpha virt. eigenvalues --    1.05905   1.06818   1.08108   1.08768   1.09600
 Alpha virt. eigenvalues --    1.11219   1.12893   1.13348   1.14857   1.17411
 Alpha virt. eigenvalues --    1.18688   1.20519   1.20828   1.21850   1.23344
 Alpha virt. eigenvalues --    1.24664   1.26658   1.27494   1.28757   1.30381
 Alpha virt. eigenvalues --    1.32054   1.32296   1.34185   1.34593   1.35661
 Alpha virt. eigenvalues --    1.37055   1.40944   1.41319   1.44903   1.47546
 Alpha virt. eigenvalues --    1.48874   1.50565   1.53772   1.55672   1.58660
 Alpha virt. eigenvalues --    1.64042   1.66008   1.67532   1.68478   1.69030
 Alpha virt. eigenvalues --    1.69794   1.71925   1.73068   1.77149   1.79913
 Alpha virt. eigenvalues --    1.80727   1.81752   1.86016   1.87689   1.89344
 Alpha virt. eigenvalues --    1.89992   1.92934   1.95395   1.97438   1.97485
 Alpha virt. eigenvalues --    1.99219   1.99746   2.02255   2.05021   2.06207
 Alpha virt. eigenvalues --    2.08601   2.09378   2.10250   2.11235   2.12312
 Alpha virt. eigenvalues --    2.13708   2.15375   2.18552   2.21643   2.23140
 Alpha virt. eigenvalues --    2.25274   2.26058   2.28824   2.29735   2.31609
 Alpha virt. eigenvalues --    2.36837   2.39855   2.40410   2.43452   2.45686
 Alpha virt. eigenvalues --    2.47169   2.48688   2.50039   2.50694   2.55215
 Alpha virt. eigenvalues --    2.56383   2.57891   2.59862   2.63527   2.68652
 Alpha virt. eigenvalues --    2.69553   2.72810   2.75431   2.77526   2.83807
 Alpha virt. eigenvalues --    2.93262   2.93617   2.95480   2.96450   3.00837
 Alpha virt. eigenvalues --    3.05298   3.11276   3.11968   3.13714   3.17355
 Alpha virt. eigenvalues --    3.19618   3.21739   3.23781   3.28017   3.31328
 Alpha virt. eigenvalues --    3.32882   3.43096   3.66662   3.80068   4.04369
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  O    8.401490  -0.063950   0.135500  -0.034476  -0.006917  -0.063241
     2  C   -0.063950   5.651261   0.133368   0.131166   0.373674  -0.028496
     3  H    0.135500   0.133368   0.593317   0.003803  -0.016981  -0.042834
     4  H   -0.034476   0.131166   0.003803   0.965821   0.046261  -0.059421
     5  C   -0.006917   0.373674  -0.016981   0.046261   4.232924  -0.054722
     6  C   -0.063241  -0.028496  -0.042834  -0.059421  -0.054722   8.299665
     7  H   -0.005038   0.146688   0.001326  -0.004290   0.289031  -0.019466
     8  H   -0.010499   0.088091   0.004145   0.008115   0.318671  -0.096836
     9  H    0.024199   0.073221  -0.003412  -0.028792   0.274897   0.019093
    10  C   -0.065099  -0.380754  -0.013393   0.053265   0.019262  -0.192145
    11  C    0.022264   0.040868   0.001094  -0.002060  -0.003503   0.395740
    12  C   -0.001705   0.042043  -0.000583  -0.002605   0.001478  -0.194809
    13  C   -0.003106   0.047893   0.000952  -0.004002  -0.000413   0.384420
    14  C    0.034267  -0.333696   0.010088  -0.009370  -0.015349  -0.395069
    15  H    0.037256  -0.191368  -0.018283   0.004424  -0.008162  -0.798769
    16  H   -0.002117   0.004609  -0.000374  -0.000164   0.000536  -0.002707
    17  H   -0.000064  -0.002741   0.000035   0.000122  -0.000201   0.114095
    18  H    0.000252   0.002632  -0.000082  -0.001515   0.000728   0.052544
    19  H    0.007532  -0.174629   0.002428   0.030047   0.000130  -0.739733
               7          8          9         10         11         12
     1  O   -0.005038  -0.010499   0.024199  -0.065099   0.022264  -0.001705
     2  C    0.146688   0.088091   0.073221  -0.380754   0.040868   0.042043
     3  H    0.001326   0.004145  -0.003412  -0.013393   0.001094  -0.000583
     4  H   -0.004290   0.008115  -0.028792   0.053265  -0.002060  -0.002605
     5  C    0.289031   0.318671   0.274897   0.019262  -0.003503   0.001478
     6  C   -0.019466  -0.096836   0.019093  -0.192145   0.395740  -0.194809
     7  H    0.660105  -0.032317  -0.010220   0.001305   0.000842   0.000169
     8  H   -0.032317   0.797031  -0.033107  -0.007096  -0.000408   0.000412
     9  H   -0.010220  -0.033107   0.638524  -0.004011  -0.000316  -0.000041
    10  C    0.001305  -0.007096  -0.004011   7.120324  -0.355058   0.470268
    11  C    0.000842  -0.000408  -0.000316  -0.355058   6.305672   0.052125
    12  C    0.000169   0.000412  -0.000041   0.470268   0.052125   6.071907
    13  C   -0.002285   0.000147   0.000219  -0.178595   0.508790   0.011818
    14  C   -0.003378   0.010046  -0.011948   0.026553  -0.137927   0.469261
    15  H    0.002947  -0.001680  -0.001968   0.140239  -0.298754  -0.066387
    16  H   -0.000195   0.000043   0.000008  -0.247784  -0.050855  -0.322025
    17  H    0.000013   0.000012  -0.000001  -0.044249  -0.269458   0.113999
    18  H    0.000350  -0.000714   0.000015   0.127172  -0.076467  -0.340311
    19  H   -0.007996   0.024594  -0.002741   0.006808   0.154173  -0.053968
              13         14         15         16         17         18
     1  O   -0.003106   0.034267   0.037256  -0.002117  -0.000064   0.000252
     2  C    0.047893  -0.333696  -0.191368   0.004609  -0.002741   0.002632
     3  H    0.000952   0.010088  -0.018283  -0.000374   0.000035  -0.000082
     4  H   -0.004002  -0.009370   0.004424  -0.000164   0.000122  -0.001515
     5  C   -0.000413  -0.015349  -0.008162   0.000536  -0.000201   0.000728
     6  C    0.384420  -0.395069  -0.798769  -0.002707   0.114095   0.052544
     7  H   -0.002285  -0.003378   0.002947  -0.000195   0.000013   0.000350
     8  H    0.000147   0.010046  -0.001680   0.000043   0.000012  -0.000714
     9  H    0.000219  -0.011948  -0.001968   0.000008  -0.000001   0.000015
    10  C   -0.178595   0.026553   0.140239  -0.247784  -0.044249   0.127172
    11  C    0.508790  -0.137927  -0.298754  -0.050855  -0.269458  -0.076467
    12  C    0.011818   0.469261  -0.066387  -0.322025   0.113999  -0.340311
    13  C    6.546853  -0.512812   0.135068  -0.058472  -0.273912   0.021832
    14  C   -0.512812   7.086941   0.056043   0.112559  -0.015973  -0.266947
    15  H    0.135068   0.056043   1.941174  -0.458403   0.048435  -0.015486
    16  H   -0.058472   0.112559  -0.458403   2.021423  -0.461990   0.052480
    17  H   -0.273912  -0.015973   0.048435  -0.461990   1.941922  -0.442958
    18  H    0.021832  -0.266947  -0.015486   0.052480  -0.442958   1.973062
    19  H   -0.357807   0.377611   0.038026  -0.016000   0.048924  -0.415896
              19
     1  O    0.007532
     2  C   -0.174629
     3  H    0.002428
     4  H    0.030047
     5  C    0.000130
     6  C   -0.739733
     7  H   -0.007996
     8  H    0.024594
     9  H   -0.002741
    10  C    0.006808
    11  C    0.154173
    12  C   -0.053968
    13  C   -0.357807
    14  C    0.377611
    15  H    0.038026
    16  H   -0.016000
    17  H    0.048924
    18  H   -0.415896
    19  H    1.873172
 Mulliken charges:
               1
     1  O   -0.406545
     2  C    0.440119
     3  H    0.209884
     4  H   -0.096329
     5  C    0.548656
     6  C   -0.577309
     7  H   -0.017594
     8  H   -0.068648
     9  H    0.066379
    10  C   -0.477014
    11  C   -0.286762
    12  C   -0.251044
    13  C   -0.266590
    14  C   -0.480902
    15  H    0.455649
    16  H    0.429426
    17  H    0.243990
    18  H    0.329310
    19  H    0.205326
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  O   -0.196661
     2  C    0.343790
     5  C    0.528793
     6  C   -0.577309
    10  C   -0.021365
    11  C    0.142664
    12  C   -0.007055
    13  C    0.062719
    14  C   -0.275576
 Electronic spatial extent (au):  <R**2>=           1276.4043
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.3270    Y=             -0.9254    Z=              1.2576  Tot=              1.5952
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -52.8004   YY=            -50.7324   ZZ=            -56.7144
   XY=              2.1794   XZ=             -2.7814   YZ=              4.0375
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.6153   YY=              2.6834   ZZ=             -3.2987
   XY=              2.1794   XZ=             -2.7814   YZ=              4.0375
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              8.9647  YYY=              4.4466  ZZZ=             -1.3217  XYY=              0.8204
  XXY=             -4.6203  XXZ=             10.2844  XZZ=            -10.6050  YZZ=              1.3725
  YYZ=              3.4552  XYZ=             -5.2134
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -1147.5332 YYYY=           -391.2645 ZZZZ=           -119.7188 XXXY=              4.9766
 XXXZ=            -10.5480 YYYX=            -12.1596 YYYZ=             13.3931 ZZZX=              2.1536
 ZZZY=              0.4096 XXYY=           -255.1661 XXZZ=           -226.4573 YYZZ=            -94.7188
 XXYZ=             21.1849 YYXZ=             -7.6597 ZZXY=             -3.0334
 N-N= 4.253497333403D+02 E-N=-1.745494455917D+03  KE= 3.813954123308D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Aug 13 11:08:11 2021, MaxMem=  5368709120 cpu:               2.5 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.04765525D-01-3.25934540D-01 4.80616367D-01
 Polarizability= 1.19505687D+02 1.75631899D+00 9.99481783D+01
                 2.10175880D+00 5.58916901D+00 6.41850941D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -1.0630   -1.0616        0.6721    0.6713
 2      1.0630    1.0616       -2.6714   -2.6716      -10.4488  -10.4409
 3     -0.6721   -0.6713       28.3385   28.3326        2.6722    2.6716
 4      2.6714    2.6716       -0.0000    0.0000       -0.6734   -0.6713
 5    -17.8898  -17.8917        0.6734    0.6713       -1.0637   -1.0616
 6     -2.6722   -2.6716        1.0637    1.0616       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        3.1848    3.1848        2.0140    2.0140
 2      8.0147    8.0147       -0.0000    0.0000        2.0140    2.0140
 3      8.0147    8.0147        3.1848    3.1848       -0.0000    0.0000
 4      3.1848    3.1848       -8.0147   -8.0147      -31.3227  -31.3227
 5     -2.0140   -2.0140       84.9978   84.9978        8.0147    8.0147
 6    -53.6750  -53.6750        2.0140    2.0140       -3.1848   -3.1848
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.1924    0.0000        3.3886    4.2465       -1.4318   -2.6853
 2     -4.0300   -4.2465       10.4855   10.6863       41.4108   41.7636
 3      2.8307    2.6853     -113.3898 -113.3303      -10.9243  -10.6863
 4    -10.7945  -10.6863        0.0956    0.0000        2.8971    2.6853
 5     71.5783   71.5667       -2.7118   -2.6853        4.2456    4.2465
 6     10.7064   10.6863       -4.2568   -4.2465       -0.0460    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.1241    0.0000        0.7194    0.3862      -10.1858  -10.1669
 2     -0.5253   -0.3862      -41.3544  -41.2263      -18.5222  -18.9214
 3     10.3173   10.1669      -17.1842  -15.5114       44.6151   41.2263
 4     41.2402   41.2263       -0.1361    0.0000       10.2677   10.1669
 5     34.9004   34.4328      -10.0622  -10.1669        0.0158    0.3862
 6    -41.0904  -41.2263       -0.5329   -0.3862       -0.4164    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     11.6108   11.4064       10.9822   11.4211       16.8999   17.1249
 2     77.8448   77.9047        2.8649    3.0514       17.3497   17.1249
 3     77.9460   77.9047       11.1588   11.4211       20.7195   20.6439
 4      8.3390    8.3697      -66.3452  -66.4984      -21.7383  -22.1047
 5      3.2158    3.5189      -31.7816  -31.0778       68.8961   66.4984
 6     54.2732   53.1825       -3.8720   -3.5189       -7.9194   -8.3697
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.1307   -1.9003   -0.0007   -0.0005    0.0003    5.0110
 Low frequencies ---   31.1155  139.5620  220.3087
 Diagonal vibrational polarizability:
       50.2402029      12.9840523      23.9614559
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     31.0917               139.5619               220.3086
 Red. masses --      3.3798                 3.4142                 2.7288
 Frc consts  --      0.0019                 0.0392                 0.0780
 IR Inten    --      1.0137                 2.0383                 0.5945
 RamAct Fr= 1--      2.4794                 4.3103                 0.0911
  Dep-P Fr= 1--      0.7499                 0.7196                 0.7436
  Dep-U Fr= 1--      0.8571                 0.8369                 0.8530
 Alpha2 Fr= 1--      0.0000                 0.0023                 0.0000
 Beta2  Fr= 1--      0.3542                 0.6012                 0.0129
 AlphaG Fr= 1--      0.0001                 0.0007                -0.0001
 Gamma2 Fr= 1--     -0.6403                -0.2204                 0.0293
 Delta2 Fr= 1--     -0.2511                -0.0830                 0.0596
 Raman1 Fr= 1--       9.917                 17.241                  0.364
 ROA1   Fr= 1--     -69.501                -23.812                  4.722
 CID1   Fr= 1--      -7.008                 -1.381                 12.962
 Raman2 Fr= 1--       4.250                  7.215                  0.155
 ROA2   Fr= 1--     -13.358                 -4.624                  0.226
 CID2   Fr= 1--      -3.143                 -0.641                  1.456
 Raman3 Fr= 1--       8.500                 14.429                  0.311
 ROA3   Fr= 1--     -69.501                -23.812                  4.722
 CID3   Fr= 1--      -8.177                 -1.650                 15.197
 RC180  Fr= 1--       0.714                  0.674                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.01   0.05   0.21    -0.06  -0.00   0.08     0.18   0.07   0.05
     2   6    -0.00   0.04  -0.02    -0.02   0.02  -0.04    -0.02  -0.03  -0.00
     3   1     0.11  -0.06   0.25     0.16   0.02   0.08     0.24   0.03   0.07
     4   1     0.01   0.24  -0.10    -0.17   0.02  -0.01    -0.13   0.01   0.00
     5   6    -0.04  -0.14  -0.20     0.21  -0.00   0.09    -0.10   0.07   0.03
     6   6     0.00   0.01   0.01    -0.01   0.04  -0.20    -0.01  -0.14  -0.05
     7   1    -0.04  -0.34  -0.12     0.46  -0.03   0.05     0.23  -0.10   0.04
     8   1    -0.08  -0.15  -0.39     0.19  -0.01  -0.04    -0.44  -0.07  -0.17
     9   1    -0.04  -0.07  -0.23     0.17   0.02   0.34    -0.15   0.45   0.23
    10   6     0.03   0.04  -0.14    -0.00   0.03  -0.17    -0.09  -0.09  -0.04
    11   6     0.03   0.03  -0.15    -0.02  -0.02   0.03    -0.11   0.03   0.01
    12   6     0.01   0.01  -0.01    -0.06  -0.06   0.20    -0.03   0.09   0.03
    13   6    -0.02  -0.02   0.14    -0.05  -0.03   0.07     0.08   0.04  -0.01
    14   6    -0.02  -0.02   0.15    -0.02   0.02  -0.14     0.07  -0.08  -0.05
    15   1     0.04   0.05  -0.25     0.02   0.05  -0.24    -0.16  -0.14  -0.08
    16   1     0.04   0.05  -0.27    -0.02  -0.03   0.10    -0.20   0.07   0.03
    17   1     0.01   0.00  -0.01    -0.08  -0.10   0.41    -0.03   0.16   0.07
    18   1    -0.03  -0.04   0.25    -0.07  -0.05   0.17     0.16   0.09   0.00
    19   1    -0.03  -0.04   0.26    -0.03   0.04  -0.20     0.16  -0.13  -0.04
                      4                      5                      6
                      A                      A                      A
 Frequencies --    255.6224               287.8783               325.9364
 Red. masses --      1.2689                 1.0418                 3.3800
 Frc consts  --      0.0488                 0.0509                 0.2116
 IR Inten    --      4.7238               123.4820                 0.4163
 RamAct Fr= 1--      0.1758                 0.3512                 1.9628
  Dep-P Fr= 1--      0.6609                 0.7318                 0.1105
  Dep-U Fr= 1--      0.7958                 0.8451                 0.1990
 Alpha2 Fr= 1--      0.0003                 0.0001                 0.0335
 Beta2  Fr= 1--      0.0233                 0.0495                 0.0651
 AlphaG Fr= 1--     -0.0015                -0.0016                 0.0053
 Gamma2 Fr= 1--     -0.0371                -0.0339                -0.2294
 Delta2 Fr= 1--     -0.1245                 0.0874                -0.0139
 Raman1 Fr= 1--       0.703                  1.405                  7.851
 ROA1   Fr= 1--      -7.546                 -0.457                -22.465
 CID1   Fr= 1--     -10.731                 -0.325                 -2.861
 Raman2 Fr= 1--       0.280                  0.594                  0.781
 ROA2   Fr= 1--       0.105                 -1.512                 -5.394
 CID2   Fr= 1--       0.375                 -2.547                 -6.904
 Raman3 Fr= 1--       0.560                  1.187                  1.563
 ROA3   Fr= 1--      -7.546                 -0.457                -22.465
 CID3   Fr= 1--     -13.484                 -0.385                -14.377
 RC180  Fr= 1--       0.592                  0.690                 -0.602
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.04  -0.02  -0.06    -0.02  -0.02  -0.00     0.15   0.09  -0.03
     2   6     0.00   0.00  -0.01    -0.01  -0.01   0.01     0.03   0.04  -0.08
     3   1     0.10   0.11  -0.10     0.87   0.43  -0.13     0.12   0.03  -0.01
     4   1     0.03  -0.02  -0.00    -0.01   0.01   0.01    -0.01   0.08  -0.09
     5   6     0.04  -0.03  -0.00    -0.02  -0.03  -0.00     0.25  -0.02  -0.03
     6   6    -0.01   0.03   0.03    -0.01   0.00   0.00    -0.03  -0.03  -0.00
     7   1     0.50  -0.35   0.04    -0.13   0.02  -0.00     0.22   0.09  -0.07
     8   1    -0.31  -0.16  -0.41     0.06   0.00   0.06     0.54   0.10   0.02
     9   1    -0.03   0.38   0.32     0.00  -0.10  -0.08     0.25  -0.35   0.07
    10   6     0.01   0.02   0.05     0.00   0.00  -0.00    -0.11  -0.03   0.10
    11   6     0.02  -0.00   0.01    -0.00   0.00   0.01    -0.12   0.00   0.03
    12   6     0.01  -0.01  -0.04     0.00   0.00   0.00    -0.11   0.03  -0.13
    13   6    -0.02  -0.00   0.00    -0.00   0.01  -0.02    -0.08  -0.02   0.03
    14   6    -0.03   0.02   0.05    -0.00   0.01   0.00    -0.08  -0.07   0.11
    15   1     0.04   0.04   0.07     0.04   0.03  -0.03    -0.15  -0.07   0.14
    16   1     0.04  -0.01   0.00    -0.00   0.00   0.02    -0.12  -0.00   0.04
    17   1     0.01  -0.02  -0.10     0.00   0.00  -0.00    -0.09   0.07  -0.28
    18   1    -0.04  -0.01  -0.01    -0.00   0.01  -0.04    -0.05  -0.01   0.06
    19   1    -0.05   0.03   0.07    -0.00   0.01   0.01    -0.09  -0.08   0.19
                      7                      8                      9
                      A                      A                      A
 Frequencies --    397.2469               414.6626               467.3430
 Red. masses --      4.5432                 2.9593                 2.9733
 Frc consts  --      0.4224                 0.2998                 0.3826
 IR Inten    --      7.5308                 1.3417                 2.8514
 RamAct Fr= 1--      1.5010                 0.0069                 2.4434
  Dep-P Fr= 1--      0.5109                 0.5772                 0.1432
  Dep-U Fr= 1--      0.6763                 0.7319                 0.2505
 Alpha2 Fr= 1--      0.0070                 0.0000                 0.0384
 Beta2  Fr= 1--      0.1692                 0.0008                 0.1020
 AlphaG Fr= 1--     -0.0075                 0.0009                 0.0161
 Gamma2 Fr= 1--      0.2887                -0.0050                 0.1577
 Delta2 Fr= 1--      0.0182                -0.0062                -0.1082
 Raman1 Fr= 1--       6.004                  0.028                  9.774
 ROA1   Fr= 1--      28.295                 -0.676                 11.674
 CID1   Fr= 1--       4.713                -24.477                  1.194
 Raman2 Fr= 1--       2.030                  0.010                  1.224
 ROA2   Fr= 1--       6.783                 -0.070                  4.649
 CID2   Fr= 1--       3.341                 -6.974                  3.797
 Raman3 Fr= 1--       4.060                  0.020                  2.449
 ROA3   Fr= 1--      28.295                 -0.676                 11.674
 CID3   Fr= 1--       6.969                -33.443                  4.767
 RC180  Fr= 1--       0.353                  0.464                 -0.499
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.28  -0.01  -0.09    -0.01  -0.00   0.01    -0.07   0.19  -0.11
     2   6     0.08  -0.07   0.16    -0.00   0.00  -0.01    -0.13   0.11   0.10
     3   1    -0.06   0.02  -0.11     0.13   0.05  -0.01    -0.24   0.33  -0.16
     4   1     0.17  -0.16   0.17    -0.01   0.00  -0.01    -0.14   0.09   0.12
     5   6    -0.04  -0.17   0.05    -0.01   0.01  -0.00     0.02  -0.12   0.04
     6   6    -0.01   0.07   0.14     0.00  -0.01  -0.02    -0.05  -0.08   0.07
     7   1    -0.14  -0.36   0.15    -0.00   0.02  -0.01     0.01  -0.35   0.13
     8   1    -0.04  -0.17  -0.11    -0.00   0.01   0.01     0.31   0.01  -0.28
     9   1    -0.02  -0.15  -0.08    -0.01   0.02   0.00     0.03  -0.41   0.11
    10   6    -0.01   0.13  -0.05    -0.03  -0.05   0.22     0.01  -0.10  -0.03
    11   6    -0.01   0.06  -0.09     0.02   0.03  -0.19     0.01  -0.03  -0.05
    12   6    -0.13  -0.04   0.12     0.01   0.01  -0.01     0.07   0.01   0.07
    13   6    -0.13   0.00  -0.06    -0.02  -0.03   0.21     0.08   0.03  -0.02
    14   6    -0.10   0.08  -0.11     0.03   0.03  -0.20     0.06  -0.04  -0.02
    15   1     0.00   0.14  -0.15    -0.05  -0.08   0.45     0.01  -0.09  -0.08
    16   1     0.09   0.03  -0.21     0.04   0.08  -0.43    -0.06   0.02  -0.12
    17   1    -0.14  -0.12   0.25     0.01   0.02  -0.04     0.07   0.04   0.13
    18   1    -0.14   0.00  -0.14    -0.04  -0.07   0.45     0.10   0.04  -0.09
    19   1    -0.18   0.17  -0.28     0.06   0.07  -0.42     0.16  -0.07  -0.09
                     10                     11                     12
                      A                      A                      A
 Frequencies --    529.4549               613.8005               638.1778
 Red. masses --      3.4072                 3.2970                 6.3662
 Frc consts  --      0.5627                 0.7318                 1.5276
 IR Inten    --     20.8339                 7.1382                 0.0719
 RamAct Fr= 1--      1.9376                 1.1099                 4.2377
  Dep-P Fr= 1--      0.2708                 0.7237                 0.7498
  Dep-U Fr= 1--      0.4262                 0.8397                 0.8570
 Alpha2 Fr= 1--      0.0216                 0.0005                 0.0000
 Beta2  Fr= 1--      0.1376                 0.1553                 0.6053
 AlphaG Fr= 1--     -0.0127                -0.0023                 0.0004
 Gamma2 Fr= 1--     -0.4049                 0.0396                 0.1307
 Delta2 Fr= 1--     -0.2128                 0.0740                 0.0023
 Raman1 Fr= 1--       7.750                  4.440                 16.951
 ROA1   Fr= 1--     -45.677                  6.170                 12.617
 CID1   Fr= 1--      -5.894                  1.390                  0.744
 Raman2 Fr= 1--       1.651                  1.864                  7.263
 ROA2   Fr= 1--      -8.014                  0.359                  3.118
 CID2   Fr= 1--      -4.853                  0.193                  0.429
 Raman3 Fr= 1--       3.303                  3.728                 14.527
 ROA3   Fr= 1--     -45.677                  6.170                 12.617
 CID3   Fr= 1--     -13.830                  1.655                  0.869
 RC180  Fr= 1--      -0.148                  0.679                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.11  -0.04   0.03    -0.09   0.01  -0.03    -0.00   0.03   0.00
     2   6     0.11   0.06  -0.03     0.16   0.10   0.19     0.01   0.00   0.02
     3   1     0.08   0.01   0.02    -0.14   0.26  -0.12     0.03   0.05  -0.01
     4   1     0.28   0.13  -0.09     0.16   0.03   0.22     0.01   0.00   0.02
     5   6     0.10   0.14  -0.09     0.01   0.01  -0.00    -0.01   0.00   0.00
     6   6     0.04  -0.08   0.25     0.16  -0.01  -0.07    -0.00   0.14   0.02
     7   1     0.17   0.21  -0.13    -0.26  -0.26   0.15    -0.02  -0.03   0.02
     8   1     0.04   0.11  -0.02    -0.08  -0.02  -0.17    -0.01   0.00  -0.03
     9   1     0.09   0.22  -0.05     0.06   0.12  -0.34    -0.00   0.01  -0.02
    10   6    -0.04  -0.02   0.02     0.00   0.04  -0.05    -0.25   0.20   0.00
    11   6    -0.05   0.04  -0.12    -0.05   0.07   0.08    -0.24  -0.24  -0.06
    12   6    -0.10  -0.02   0.15    -0.14   0.03  -0.11     0.00  -0.14  -0.03
    13   6     0.02  -0.03  -0.12    -0.00  -0.10   0.05     0.26  -0.23  -0.00
    14   6     0.01  -0.09   0.01     0.03  -0.14  -0.08     0.23   0.21   0.05
    15   1    -0.10  -0.04  -0.25    -0.16  -0.07   0.07    -0.10   0.29   0.04
    16   1    -0.00   0.07  -0.40    -0.00  -0.01   0.30    -0.09  -0.33  -0.04
    17   1    -0.11   0.01   0.20    -0.15   0.04  -0.05    -0.02   0.29   0.04
    18   1     0.12   0.07  -0.38     0.12  -0.05   0.30     0.13  -0.32  -0.01
    19   1     0.01  -0.03  -0.26    -0.07  -0.13   0.08     0.07   0.29   0.06
                     13                     14                     15
                      A                      A                      A
 Frequencies --    714.0793               755.9441               781.3334
 Red. masses --      1.7922                 2.8187                 2.1314
 Frc consts  --      0.5384                 0.9490                 0.7666
 IR Inten    --     39.6210                17.1668                17.2825
 RamAct Fr= 1--      0.0324                 9.6890                 5.4917
  Dep-P Fr= 1--      0.0937                 0.0460                 0.1634
  Dep-U Fr= 1--      0.1714                 0.0879                 0.2809
 Alpha2 Fr= 1--      0.0006                 0.1932                 0.0820
 Beta2  Fr= 1--      0.0009                 0.1419                 0.2571
 AlphaG Fr= 1--      0.0018                -0.0392                 0.0101
 Gamma2 Fr= 1--      0.0294                 1.1119                 0.8330
 Delta2 Fr= 1--      0.0008                 0.2880                -0.0367
 Raman1 Fr= 1--       0.130                 38.756                 21.967
 ROA1   Fr= 1--       2.846                115.960                 78.790
 CID1   Fr= 1--      21.975                  2.992                  3.587
 Raman2 Fr= 1--       0.011                  1.703                  3.085
 ROA2   Fr= 1--       0.699                 24.383                 20.285
 CID2   Fr= 1--      63.013                 14.319                  6.576
 Raman3 Fr= 1--       0.022                  3.406                  6.170
 ROA3   Fr= 1--       2.846                115.960                 78.790
 CID3   Fr= 1--     128.228                 34.050                 12.771
 RC180  Fr= 1--      -0.657                 -0.824                 -0.438
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00  -0.00     0.01  -0.06   0.01    -0.00   0.04  -0.00
     2   6     0.00   0.00   0.00     0.08   0.03   0.09    -0.09  -0.04  -0.09
     3   1     0.01   0.02  -0.01    -0.02   0.05  -0.04     0.07  -0.07   0.04
     4   1    -0.04  -0.01   0.02     0.19   0.00   0.07     0.04   0.08  -0.16
     5   6    -0.00  -0.00   0.00     0.07   0.08  -0.06    -0.04  -0.04   0.01
     6   6     0.02   0.02  -0.10    -0.10  -0.03   0.12     0.02  -0.03   0.18
     7   1    -0.03  -0.02   0.01    -0.02  -0.01  -0.01     0.21   0.16  -0.12
     8   1    -0.02  -0.01   0.00     0.03   0.07  -0.12     0.06   0.00   0.14
     9   1     0.00   0.01  -0.03     0.09   0.14  -0.19    -0.09  -0.16   0.33
    10   6    -0.01  -0.00   0.08    -0.03  -0.11  -0.10     0.03   0.08  -0.04
    11   6     0.02   0.03  -0.14    -0.06  -0.13  -0.02     0.04   0.08   0.02
    12   6    -0.02  -0.01   0.07     0.13   0.03  -0.08    -0.05   0.01  -0.11
    13   6     0.02   0.02  -0.14    -0.06   0.11   0.03     0.03  -0.07  -0.00
    14   6    -0.01  -0.02   0.07    -0.04   0.11  -0.07     0.04  -0.04  -0.08
    15   1    -0.05  -0.06   0.49     0.02  -0.10   0.09    -0.01   0.05  -0.01
    16   1    -0.01  -0.03   0.19    -0.28  -0.12   0.41     0.10  -0.04   0.42
    17   1    -0.08  -0.10   0.56     0.07  -0.05   0.42    -0.11  -0.10   0.44
    18   1    -0.01  -0.04   0.20    -0.24  -0.05   0.42     0.07  -0.10   0.42
    19   1    -0.06  -0.10   0.50     0.03   0.03   0.11    -0.02  -0.03   0.01
                     16                     17                     18
                      A                      A                      A
 Frequencies --    856.9221               913.0837               922.4709
 Red. masses --      1.2493                 2.2620                 1.3763
 Frc consts  --      0.5405                 1.1111                 0.6901
 IR Inten    --      0.1375                 9.6157                 1.7389
 RamAct Fr= 1--      1.3949                 2.1923                 1.2564
  Dep-P Fr= 1--      0.7397                 0.6767                 0.3626
  Dep-U Fr= 1--      0.8504                 0.8072                 0.5322
 Alpha2 Fr= 1--      0.0002                 0.0028                 0.0106
 Beta2  Fr= 1--      0.1977                 0.2949                 0.1114
 AlphaG Fr= 1--     -0.0006                -0.0157                -0.0109
 Gamma2 Fr= 1--     -0.1127                -2.2242                -0.6483
 Delta2 Fr= 1--     -0.0467                -1.5361                 0.1558
 Raman1 Fr= 1--       5.580                  8.769                  5.026
 ROA1   Fr= 1--     -12.315               -262.681                -57.253
 CID1   Fr= 1--      -2.207                -29.955                -11.392
 Raman2 Fr= 1--       2.372                  3.539                  1.337
 ROA2   Fr= 1--      -2.332                -41.093                -16.806
 CID2   Fr= 1--      -0.983                -11.611                -12.567
 Raman3 Fr= 1--       4.745                  7.078                  2.675
 ROA3   Fr= 1--     -12.315               -262.681                -57.253
 CID3   Fr= 1--      -2.596                -37.111                -21.407
 RC180  Fr= 1--       0.701                  0.614                  0.064
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.00     0.07  -0.14   0.01    -0.00   0.00   0.00
     2   6     0.00   0.00  -0.00    -0.16   0.02   0.07     0.01   0.00  -0.01
     3   1    -0.02  -0.00   0.00     0.03  -0.07  -0.02    -0.01  -0.03   0.01
     4   1     0.01   0.00  -0.00    -0.26  -0.19   0.17    -0.10  -0.07   0.04
     5   6     0.00  -0.00   0.00     0.00   0.18  -0.07     0.01   0.00   0.02
     6   6     0.00  -0.00   0.01    -0.04  -0.01  -0.00     0.01   0.01  -0.06
     7   1    -0.00   0.00  -0.00     0.03  -0.22   0.07    -0.09  -0.08   0.07
     8   1    -0.01  -0.01   0.01     0.38   0.35  -0.59    -0.03  -0.01  -0.04
     9   1     0.00   0.00  -0.01     0.02  -0.22  -0.04     0.03   0.04  -0.11
    10   6    -0.01  -0.01   0.07     0.01   0.04   0.01    -0.02  -0.01   0.09
    11   6    -0.01  -0.01   0.07     0.04   0.06   0.02     0.00  -0.00   0.01
    12   6     0.00  -0.00   0.01    -0.03  -0.01  -0.00     0.02   0.02  -0.10
    13   6     0.01   0.02  -0.07     0.04  -0.05  -0.01     0.00   0.00  -0.01
    14   6     0.01   0.02  -0.08     0.01  -0.01  -0.00    -0.01  -0.02   0.09
    15   1     0.04   0.06  -0.47     0.02   0.05   0.02     0.04   0.06  -0.52
    16   1     0.06   0.08  -0.49     0.12   0.03  -0.02     0.01   0.01  -0.06
    17   1     0.01   0.00  -0.04    -0.02  -0.01  -0.02    -0.06  -0.11   0.60
    18   1    -0.06  -0.09   0.46     0.08  -0.03   0.04    -0.01  -0.01   0.04
    19   1    -0.05  -0.10   0.52     0.03  -0.03   0.02     0.05   0.10  -0.49
                     19                     20                     21
                      A                      A                      A
 Frequencies --    961.3666               978.6806              1024.9496
 Red. masses --      1.3481                 1.2415                 6.0437
 Frc consts  --      0.7341                 0.7006                 3.7408
 IR Inten    --      0.1607                 0.2299                 0.3631
 RamAct Fr= 1--      0.0937                 0.1718                47.2576
  Dep-P Fr= 1--      0.2585                 0.1235                 0.0576
  Dep-U Fr= 1--      0.4108                 0.2198                 0.1090
 Alpha2 Fr= 1--      0.0011                 0.0028                 0.9166
 Beta2  Fr= 1--      0.0064                 0.0063                 0.8583
 AlphaG Fr= 1--      0.0041                 0.0069                 0.0059
 Gamma2 Fr= 1--      0.2182                -0.0558                 0.0774
 Delta2 Fr= 1--     -0.0195                 0.0303                 0.0725
 Raman1 Fr= 1--       0.375                  0.687                189.030
 ROA1   Fr= 1--      20.327                 -4.391                  9.748
 CID1   Fr= 1--      54.247                 -6.390                  0.052
 Raman2 Fr= 1--       0.077                  0.076                 10.300
 ROA2   Fr= 1--       5.393                 -1.582                  1.277
 CID2   Fr= 1--      70.067                -20.954                  0.124
 Raman3 Fr= 1--       0.154                  0.151                 20.600
 ROA3   Fr= 1--      20.327                 -4.391                  9.748
 CID3   Fr= 1--     132.041                -29.075                  0.473
 RC180  Fr= 1--      -0.178                 -0.560                 -0.782
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.01  -0.00
     2   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.02   0.01
     3   1     0.01   0.01  -0.00     0.00  -0.02   0.01     0.03  -0.01   0.01
     4   1     0.02   0.01  -0.01    -0.02  -0.02   0.01    -0.05  -0.04   0.02
     5   6    -0.00  -0.00   0.00     0.00   0.00   0.01     0.03   0.01  -0.01
     6   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.00   0.01
     7   1     0.01   0.01  -0.01    -0.02  -0.03   0.02    -0.03  -0.00   0.00
     8   1     0.00  -0.00   0.02    -0.00   0.00  -0.02    -0.03  -0.02   0.01
     9   1    -0.01   0.00   0.02     0.01   0.00  -0.02     0.03   0.05  -0.08
    10   6     0.01   0.01  -0.08    -0.01  -0.00   0.05    -0.21   0.34   0.02
    11   6    -0.01  -0.02   0.07     0.01   0.02  -0.09    -0.01  -0.04   0.00
    12   6    -0.01  -0.00   0.02    -0.00  -0.01   0.08     0.37   0.02   0.05
    13   6     0.01   0.02  -0.10     0.01   0.01  -0.06    -0.02   0.04   0.01
    14   6    -0.01  -0.01   0.09    -0.00  -0.01   0.02    -0.16  -0.35  -0.08
    15   1    -0.02  -0.05   0.43     0.02   0.05  -0.39    -0.14   0.39   0.14
    16   1     0.03   0.06  -0.37    -0.06  -0.10   0.58     0.04  -0.04  -0.05
    17   1     0.01   0.03  -0.11     0.07   0.08  -0.50     0.38   0.00   0.06
    18   1    -0.06  -0.10   0.59    -0.05  -0.08   0.40     0.02   0.04   0.01
    19   1     0.05   0.10  -0.50     0.02   0.04  -0.21    -0.08  -0.41  -0.07
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1030.6125              1052.8848              1068.1301
 Red. masses --      1.9719                 2.1783                 1.6872
 Frc consts  --      1.2340                 1.4227                 1.1341
 IR Inten    --     32.1969                24.2766                11.4777
 RamAct Fr= 1--      4.1271                20.6980                 5.6551
  Dep-P Fr= 1--      0.3534                 0.0616                 0.3238
  Dep-U Fr= 1--      0.5223                 0.1161                 0.4892
 Alpha2 Fr= 1--      0.0358                 0.3977                 0.0539
 Beta2  Fr= 1--      0.3592                 0.4005                 0.4611
 AlphaG Fr= 1--      0.0103                -0.0226                -0.0410
 Gamma2 Fr= 1--      0.7501                -0.3341                -0.4107
 Delta2 Fr= 1--      1.1513                -0.3916                 0.5679
 Raman1 Fr= 1--      16.508                 82.792                 22.620
 ROA1   Fr= 1--     108.849                -44.611                -21.255
 CID1   Fr= 1--       6.593                 -0.539                 -0.940
 Raman2 Fr= 1--       4.311                  4.806                  5.533
 ROA2   Fr= 1--       8.791                 -4.886                -14.400
 CID2   Fr= 1--       2.039                 -1.017                 -2.603
 Raman3 Fr= 1--       8.622                  9.612                 11.066
 ROA3   Fr= 1--     108.849                -44.611                -21.255
 CID3   Fr= 1--      12.625                 -4.641                 -1.921
 RC180  Fr= 1--       0.045                 -0.768                 -0.022
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.04  -0.11   0.00    -0.03   0.03  -0.00     0.02  -0.01   0.01
     2   6     0.04   0.17   0.02     0.02  -0.03  -0.07    -0.07  -0.06   0.13
     3   1    -0.08   0.12  -0.09     0.13  -0.25   0.11    -0.24   0.42  -0.16
     4   1     0.32   0.37  -0.13    -0.01  -0.18   0.01    -0.14   0.16   0.06
     5   6    -0.13  -0.03  -0.00    -0.02   0.03   0.05     0.06  -0.03  -0.12
     6   6     0.07   0.03  -0.06     0.05  -0.01   0.03    -0.04  -0.01  -0.03
     7   1     0.27   0.08  -0.11    -0.09  -0.22   0.16     0.16   0.39  -0.30
     8   1     0.21   0.11   0.05     0.08   0.08  -0.20    -0.10  -0.10   0.28
     9   1    -0.20  -0.34   0.53     0.00  -0.12  -0.04     0.02   0.24   0.01
    10   6     0.00  -0.01   0.02     0.04   0.06   0.01     0.01   0.04   0.02
    11   6    -0.04  -0.07  -0.02    -0.02  -0.17  -0.03     0.02  -0.04  -0.01
    12   6     0.01   0.02  -0.00    -0.12  -0.01  -0.02    -0.06  -0.01  -0.01
    13   6    -0.02   0.04   0.01    -0.05   0.18   0.03     0.01   0.06   0.01
    14   6    -0.02  -0.03   0.01     0.05  -0.04  -0.01     0.03  -0.02   0.01
    15   1     0.04   0.03  -0.11     0.26   0.20   0.08     0.15   0.13  -0.05
    16   1    -0.07  -0.05  -0.01     0.26  -0.33  -0.02     0.21  -0.14   0.01
    17   1     0.00   0.09   0.05    -0.13  -0.05  -0.03    -0.07  -0.06  -0.02
    18   1     0.02   0.07  -0.01     0.20   0.35   0.09     0.15   0.15   0.05
    19   1    -0.03  -0.01  -0.06     0.32  -0.18   0.03     0.20  -0.09  -0.06
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1096.7204              1126.5183              1185.0647
 Red. masses --      1.8986                 2.1074                 1.1172
 Frc consts  --      1.3455                 1.5757                 0.9244
 IR Inten    --     27.8142                29.7377                 0.2513
 RamAct Fr= 1--      3.5810                 5.7161                 3.6012
  Dep-P Fr= 1--      0.2569                 0.1398                 0.7470
  Dep-U Fr= 1--      0.4088                 0.2453                 0.8552
 Alpha2 Fr= 1--      0.0416                 0.0907                 0.0002
 Beta2  Fr= 1--      0.2440                 0.2337                 0.5133
 AlphaG Fr= 1--      0.0123                -0.0182                 0.0004
 Gamma2 Fr= 1--      0.5186                -1.1082                 0.1824
 Delta2 Fr= 1--      0.1493                -0.3725                 0.2019
 Raman1 Fr= 1--      14.324                 22.864                 14.405
 ROA1   Fr= 1--      54.563               -118.310                 23.970
 CID1   Fr= 1--       3.809                 -5.174                  1.664
 Raman2 Fr= 1--       2.928                  2.804                  6.159
 ROA2   Fr= 1--      11.252                -23.618                  2.762
 CID2   Fr= 1--       3.844                 -8.422                  0.448
 Raman3 Fr= 1--       5.855                  5.609                 12.318
 ROA3   Fr= 1--      54.563               -118.310                 23.970
 CID3   Fr= 1--       9.319                -21.094                  1.946
 RC180  Fr= 1--      -0.182                 -0.509                  0.710
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.04  -0.06  -0.00     0.04  -0.09  -0.00    -0.00   0.00  -0.00
     2   6    -0.05   0.12  -0.06    -0.03   0.19  -0.08     0.00  -0.00   0.00
     3   1    -0.03  -0.05  -0.01    -0.05   0.06  -0.07     0.01  -0.01   0.01
     4   1    -0.12   0.08  -0.03    -0.12   0.27  -0.10     0.02  -0.02   0.00
     5   6     0.06  -0.04   0.05     0.04  -0.05   0.08    -0.00  -0.00  -0.00
     6   6    -0.08   0.05   0.03    -0.07  -0.03   0.03    -0.01   0.00  -0.00
     7   1    -0.20  -0.03   0.09    -0.24  -0.07   0.14     0.01   0.01  -0.01
     8   1    -0.20  -0.14   0.10    -0.19  -0.14   0.09     0.00   0.00   0.00
     9   1     0.08   0.19  -0.21     0.06   0.16  -0.17    -0.00   0.00   0.00
    10   6     0.09  -0.03   0.00    -0.09   0.02  -0.02    -0.01  -0.01  -0.00
    11   6    -0.02  -0.05  -0.01     0.06   0.05   0.02     0.05  -0.02   0.00
    12   6    -0.03   0.07   0.01    -0.01  -0.06  -0.01    -0.01   0.07   0.01
    13   6     0.08  -0.06  -0.00    -0.02   0.03   0.00    -0.04  -0.02  -0.01
    14   6    -0.07  -0.06  -0.03     0.08   0.02   0.01     0.01  -0.01  -0.00
    15   1     0.46   0.20   0.07    -0.31  -0.11   0.01    -0.15  -0.10  -0.02
    16   1    -0.12  -0.01   0.01     0.27  -0.06   0.02     0.45  -0.23   0.01
    17   1    -0.05   0.47   0.07     0.01  -0.41  -0.08    -0.04   0.65   0.11
    18   1     0.33   0.09   0.06    -0.09  -0.02  -0.00    -0.39  -0.24  -0.09
    19   1    -0.25   0.01   0.00     0.43  -0.16   0.03     0.17  -0.09  -0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1206.0194              1218.8630              1284.3630
 Red. masses --      1.1768                 2.0955                 1.6500
 Frc consts  --      1.0085                 1.8342                 1.6036
 IR Inten    --      2.9172                19.5853                 8.9940
 RamAct Fr= 1--      6.9607                10.5355                 5.8502
  Dep-P Fr= 1--      0.4043                 0.0985                 0.0646
  Dep-U Fr= 1--      0.5758                 0.1794                 0.1214
 Alpha2 Fr= 1--      0.0508                 0.1851                 0.1116
 Beta2  Fr= 1--      0.6680                 0.3150                 0.1183
 AlphaG Fr= 1--      0.0276                -0.0482                -0.0143
 Gamma2 Fr= 1--      0.3798                -0.8147                -0.5930
 Delta2 Fr= 1--     -0.0984                 0.2082                 0.3165
 Raman1 Fr= 1--      27.843                 42.142                 23.401
 ROA1   Fr= 1--      33.310                -71.549                -46.802
 CID1   Fr= 1--       1.196                 -1.698                 -2.000
 Raman2 Fr= 1--       8.017                  3.780                  1.420
 ROA2   Fr= 1--       9.901                -21.218                -16.764
 CID2   Fr= 1--       1.235                 -5.614                -11.805
 Raman3 Fr= 1--      16.033                  7.559                  2.840
 ROA3   Fr= 1--      33.310                -71.549                -46.802
 CID3   Fr= 1--       2.078                 -9.465                -16.478
 RC180  Fr= 1--       0.152                 -0.641                 -0.757
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00   0.01  -0.00     0.02  -0.03   0.01    -0.00  -0.01   0.04
     2   6     0.03   0.00   0.01    -0.10  -0.00  -0.05     0.11  -0.11  -0.08
     3   1     0.02  -0.07   0.03    -0.16   0.27  -0.11    -0.32   0.57  -0.19
     4   1     0.13  -0.04   0.01    -0.58   0.13  -0.01    -0.08   0.42  -0.26
     5   6    -0.01  -0.00  -0.00     0.03   0.00   0.00    -0.03   0.05   0.07
     6   6    -0.07   0.01  -0.01     0.23  -0.05   0.06    -0.08  -0.08  -0.01
     7   1     0.03   0.02  -0.02    -0.10   0.00   0.02     0.01  -0.18   0.14
     8   1     0.03   0.01   0.01    -0.09  -0.05  -0.01     0.08   0.10  -0.20
     9   1    -0.01   0.00   0.03     0.03   0.04  -0.08     0.01  -0.16  -0.10
    10   6     0.03   0.02   0.01     0.07   0.04   0.01     0.00   0.02   0.00
    11   6    -0.02   0.04   0.00    -0.09  -0.04  -0.02     0.00   0.03   0.00
    12   6    -0.01   0.00  -0.00     0.02  -0.01   0.00    -0.00  -0.02  -0.00
    13   6    -0.03  -0.04  -0.01    -0.07   0.05   0.00     0.04  -0.00   0.00
    14   6     0.05  -0.03   0.00     0.03   0.01  -0.00    -0.04   0.03  -0.00
    15   1     0.44   0.28   0.06     0.04   0.02   0.03     0.19   0.14   0.04
    16   1    -0.36   0.21  -0.00    -0.34   0.09  -0.02     0.14  -0.04   0.02
    17   1    -0.01  -0.04  -0.01     0.01   0.10   0.02    -0.01   0.06   0.01
    18   1    -0.34  -0.23  -0.08    -0.46  -0.19  -0.08     0.01  -0.02  -0.00
    19   1     0.51  -0.26  -0.00    -0.08   0.07   0.01    -0.05   0.03   0.01
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1328.7028              1342.9850              1359.6651
 Red. masses --      1.9455                 2.2933                 1.4856
 Frc consts  --      2.0236                 2.4370                 1.6181
 IR Inten    --     11.6539                 5.0029                 0.3975
 RamAct Fr= 1--      7.7060                 3.2035                 2.1549
  Dep-P Fr= 1--      0.2891                 0.3740                 0.3012
  Dep-U Fr= 1--      0.4485                 0.5444                 0.4629
 Alpha2 Fr= 1--      0.0816                 0.0260                 0.0220
 Beta2  Fr= 1--      0.5760                 0.2907                 0.1663
 AlphaG Fr= 1--      0.0234                -0.0382                -0.0354
 Gamma2 Fr= 1--      0.3826                -0.6585                -0.5876
 Delta2 Fr= 1--     -0.8063                -0.6086                 0.1025
 Raman1 Fr= 1--      30.824                 12.814                  8.620
 ROA1   Fr= 1--      10.929                -82.690                -53.127
 CID1   Fr= 1--       0.355                 -6.453                 -6.163
 Raman2 Fr= 1--       6.912                  3.488                  1.995
 ROA2   Fr= 1--      15.632                -10.936                -14.921
 CID2   Fr= 1--       2.262                 -3.135                 -7.479
 Raman3 Fr= 1--      13.824                  6.976                  3.990
 ROA3   Fr= 1--      10.929                -82.690                -53.127
 CID3   Fr= 1--       0.791                -11.853                -13.314
 RC180  Fr= 1--      -0.103                  0.089                 -0.074
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.02   0.00   0.01    -0.00   0.01  -0.03     0.00  -0.00   0.01
     2   6    -0.14  -0.11  -0.00    -0.12  -0.01   0.07     0.03  -0.01  -0.02
     3   1    -0.07   0.16  -0.05     0.16  -0.32   0.10    -0.03   0.11  -0.03
     4   1     0.61   0.34  -0.34     0.65   0.34  -0.23    -0.11  -0.11   0.05
     5   6     0.04   0.04   0.05     0.05   0.01   0.02    -0.02  -0.01   0.01
     6   6     0.05   0.15   0.00     0.03  -0.16  -0.06    -0.02   0.05   0.01
     7   1    -0.13  -0.04   0.10    -0.14  -0.01   0.06     0.05   0.04  -0.03
     8   1    -0.09  -0.00  -0.19    -0.08  -0.03  -0.03     0.06   0.02  -0.04
     9   1     0.08   0.00  -0.18     0.06   0.09  -0.08    -0.01   0.02  -0.02
    10   6    -0.02  -0.04  -0.00     0.08   0.06   0.02     0.11   0.04   0.02
    11   6     0.05  -0.06  -0.00    -0.11   0.06  -0.00    -0.03   0.00  -0.00
    12   6    -0.00   0.06   0.01     0.01  -0.11  -0.02     0.01  -0.10  -0.02
    13   6    -0.07  -0.04  -0.02     0.10   0.07   0.03     0.03  -0.00   0.00
    14   6     0.06  -0.05   0.00    -0.09   0.05   0.00    -0.11   0.03  -0.01
    15   1    -0.17  -0.13  -0.05     0.02   0.03  -0.01    -0.46  -0.31  -0.08
    16   1    -0.25   0.10  -0.02     0.19  -0.09   0.01    -0.26   0.12  -0.01
    17   1    -0.00  -0.02  -0.00    -0.00   0.09   0.02    -0.02   0.31   0.05
    18   1     0.12   0.08   0.03    -0.19  -0.11  -0.05     0.24   0.13   0.05
    19   1     0.12  -0.08  -0.02    -0.03   0.02  -0.02     0.50  -0.28   0.01
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1407.6928              1412.8236              1484.1459
 Red. masses --      1.2216                 1.2022                 1.7785
 Frc consts  --      1.4262                 1.4138                 2.3082
 IR Inten    --      6.0773                43.5650                 9.6824
 RamAct Fr= 1--      0.8801                 5.9601                 1.3033
  Dep-P Fr= 1--      0.7416                 0.5890                 0.7279
  Dep-U Fr= 1--      0.8517                 0.7413                 0.8425
 Alpha2 Fr= 1--      0.0001                 0.0179                 0.0005
 Beta2  Fr= 1--      0.1249                 0.7364                 0.1830
 AlphaG Fr= 1--     -0.0005                -0.0287                 0.0066
 Gamma2 Fr= 1--     -0.1712                -0.9941                 3.5797
 Delta2 Fr= 1--     -0.2282                 0.8454                -1.3515
 Raman1 Fr= 1--       3.521                 23.840                  5.213
 ROA1   Fr= 1--     -23.740                -68.385                300.406
 CID1   Fr= 1--      -6.743                 -2.868                 57.626
 Raman2 Fr= 1--       1.499                  8.837                  2.196
 ROA2   Fr= 1--      -2.284                -30.622                 96.725
 CID2   Fr= 1--      -1.524                 -3.465                 44.044
 Raman3 Fr= 1--       2.998                 17.674                  4.392
 ROA3   Fr= 1--     -23.740                -68.385                300.406
 CID3   Fr= 1--      -7.918                 -3.869                 68.395
 RC180  Fr= 1--       0.703                  0.483                  0.685
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.02    -0.01  -0.00  -0.06    -0.01   0.00   0.00
     2   6    -0.00  -0.00  -0.01     0.04  -0.04   0.07     0.01   0.02   0.00
     3   1    -0.06   0.13  -0.04     0.19  -0.41   0.11    -0.01  -0.01   0.00
     4   1     0.08  -0.15   0.03    -0.44   0.68  -0.11     0.08  -0.05   0.01
     5   6     0.06   0.08  -0.09     0.00   0.03  -0.02     0.03  -0.03   0.01
     6   6    -0.01   0.00  -0.00    -0.01   0.01   0.00     0.02  -0.12  -0.02
     7   1    -0.29  -0.41   0.18     0.01  -0.18   0.07    -0.35   0.25  -0.04
     8   1    -0.39  -0.14   0.38     0.01   0.02   0.16    -0.02  -0.02  -0.29
     9   1    -0.01  -0.37   0.43    -0.00  -0.03   0.05    -0.03   0.08   0.28
    10   6     0.00   0.00   0.00    -0.01   0.00   0.00    -0.09   0.03  -0.00
    11   6     0.00   0.00   0.00     0.03  -0.01   0.00     0.11   0.01   0.02
    12   6    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.01  -0.10  -0.02
    13   6     0.00  -0.00   0.00    -0.02  -0.02  -0.00    -0.12  -0.01  -0.02
    14   6    -0.01   0.00   0.00     0.01   0.01   0.00     0.05   0.06   0.02
    15   1    -0.01  -0.01  -0.00    -0.04  -0.02  -0.01     0.12   0.17   0.04
    16   1    -0.01   0.01   0.00    -0.09   0.05  -0.00    -0.23   0.21   0.01
    17   1    -0.00   0.02   0.00    -0.01   0.08   0.01    -0.02   0.51   0.09
    18   1     0.02   0.01   0.00     0.09   0.05   0.02     0.28   0.25   0.08
    19   1     0.06  -0.03  -0.01     0.06  -0.02  -0.00    -0.05   0.12   0.02
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1493.0922              1493.4677              1534.0705
 Red. masses --      1.1869                 1.0487                 2.1773
 Frc consts  --      1.5589                 1.3781                 3.0190
 IR Inten    --      0.4295                11.4754                 9.5881
 RamAct Fr= 1--      2.9103                 4.2151                 0.4067
  Dep-P Fr= 1--      0.7494                 0.7133                 0.7185
  Dep-U Fr= 1--      0.8568                 0.8327                 0.8362
 Alpha2 Fr= 1--      0.0000                 0.0027                 0.0002
 Beta2  Fr= 1--      0.4156                 0.5850                 0.0567
 AlphaG Fr= 1--     -0.0008                 0.0207                -0.0015
 Gamma2 Fr= 1--     -2.1389                 1.0933                -0.6144
 Delta2 Fr= 1--      0.0112                 0.7705                 0.1358
 Raman1 Fr= 1--      11.641                 16.860                  1.627
 ROA1   Fr= 1--    -204.978                129.617                -54.632
 CID1   Fr= 1--     -17.608                  7.688                -33.585
 Raman2 Fr= 1--       4.987                  7.020                  0.680
 ROA2   Fr= 1--     -51.424                 20.076                -15.831
 CID2   Fr= 1--     -10.312                  2.860                -23.278
 Raman3 Fr= 1--       9.974                 14.039                  1.360
 ROA3   Fr= 1--    -204.978                129.617                -54.632
 CID3   Fr= 1--     -20.552                  9.233                -40.165
 RC180  Fr= 1--       0.714                  0.665                  0.672
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00     0.00   0.00   0.01    -0.00   0.00  -0.00
     2   6    -0.03   0.03  -0.00    -0.02  -0.01  -0.02    -0.03  -0.00  -0.00
     3   1    -0.00   0.02  -0.01    -0.05   0.08  -0.03    -0.01  -0.01   0.00
     4   1     0.12  -0.09   0.02     0.09  -0.03  -0.04    -0.04  -0.00   0.00
     5   6    -0.04   0.03   0.01    -0.02  -0.02  -0.04    -0.01   0.00   0.00
     6   6     0.00  -0.05  -0.01     0.00  -0.00  -0.00     0.13   0.01   0.02
     7   1     0.58  -0.30   0.02    -0.16  -0.38   0.15     0.08  -0.04   0.00
     8   1    -0.04  -0.01   0.40     0.53   0.20   0.32     0.00   0.00   0.06
     9   1     0.07  -0.15  -0.50    -0.07   0.58   0.16     0.01  -0.00  -0.08
    10   6    -0.03   0.02   0.00    -0.00   0.00   0.00    -0.06  -0.10  -0.02
    11   6     0.05   0.00   0.01     0.01  -0.00   0.00    -0.12   0.09   0.00
    12   6    -0.00  -0.05  -0.01    -0.00  -0.00  -0.00     0.10   0.02   0.02
    13   6    -0.04   0.01  -0.00    -0.01   0.00  -0.00    -0.10  -0.11  -0.03
    14   6     0.04   0.01   0.01     0.01   0.00   0.00    -0.08   0.09   0.01
    15   1     0.01   0.05   0.01     0.00   0.01   0.00     0.38   0.16   0.06
    16   1    -0.12   0.10   0.00    -0.01   0.01  -0.00     0.44  -0.19   0.02
    17   1    -0.02   0.21   0.04    -0.00   0.02   0.00     0.13  -0.04   0.01
    18   1     0.06   0.08   0.02     0.01   0.01   0.00     0.42   0.19   0.08
    19   1    -0.06   0.07   0.00    -0.02   0.01   0.01     0.45  -0.16   0.02
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1629.0041              1650.0597              3026.4562
 Red. masses --      5.5328                 5.5341                 1.0471
 Frc consts  --      8.6505                 8.8776                 5.6507
 IR Inten    --      0.6841                 4.0958                10.9677
 RamAct Fr= 1--      8.5245                34.7080               226.4819
  Dep-P Fr= 1--      0.7125                 0.6279                 0.0331
  Dep-U Fr= 1--      0.8321                 0.7714                 0.0642
 Alpha2 Fr= 1--      0.0055                 0.0771                 4.6562
 Beta2  Fr= 1--      1.1823                 4.4625                 2.4218
 AlphaG Fr= 1--      0.0228                 0.0144                 0.5120
 Gamma2 Fr= 1--     -0.8519                -0.3916                 4.7975
 Delta2 Fr= 1--     -0.2116                 0.4019                 6.2239
 Raman1 Fr= 1--      34.098                138.832                905.928
 ROA1   Fr= 1--     -88.558                -24.735                659.729
 CID1   Fr= 1--      -2.597                 -0.178                  0.728
 Raman2 Fr= 1--      14.187                 53.550                 29.062
 ROA2   Fr= 1--     -18.753                -12.615                 65.350
 CID2   Fr= 1--      -1.322                 -0.236                  2.249
 Raman3 Fr= 1--      28.375                107.100                 58.124
 ROA3   Fr= 1--     -88.558                -24.735                659.729
 CID3   Fr= 1--      -3.121                 -0.231                 11.350
 RC180  Fr= 1--       0.664                  0.543                 -0.872
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00   0.04   0.00     0.03   0.00   0.01     0.01   0.01   0.03
     3   1     0.01  -0.00   0.00     0.00  -0.00   0.00     0.00   0.01   0.01
     4   1     0.13  -0.05   0.01     0.04   0.02  -0.01    -0.07  -0.14  -0.34
     5   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.01   0.01  -0.05
     6   6     0.00  -0.29  -0.05    -0.21  -0.03  -0.03    -0.00   0.00   0.00
     7   1     0.02  -0.01   0.00    -0.03  -0.00   0.01     0.13   0.28   0.69
     8   1    -0.02  -0.01   0.03    -0.01  -0.00  -0.01     0.13  -0.32  -0.02
     9   1     0.01   0.00  -0.03    -0.00  -0.01   0.04    -0.39  -0.02  -0.08
    10   6     0.09   0.20   0.04     0.28   0.10   0.05    -0.00   0.00   0.00
    11   6     0.09  -0.21  -0.02    -0.27   0.06  -0.02    -0.00   0.00   0.00
    12   6    -0.03   0.36   0.06     0.14   0.00   0.02     0.00  -0.00  -0.00
    13   6    -0.05  -0.20  -0.04    -0.27  -0.08  -0.05     0.00  -0.00  -0.00
    14   6    -0.11   0.17   0.02     0.30  -0.07   0.02    -0.00  -0.00  -0.00
    15   1    -0.32  -0.05  -0.03    -0.28  -0.26  -0.07     0.00  -0.00  -0.00
    16   1    -0.26  -0.05  -0.04     0.25  -0.21  -0.00    -0.00  -0.00  -0.00
    17   1     0.02  -0.49  -0.08     0.15   0.02   0.02    -0.00  -0.00   0.00
    18   1     0.22  -0.05   0.02     0.24   0.25   0.07     0.00   0.00   0.00
    19   1     0.30  -0.03   0.02    -0.33   0.26   0.01     0.01   0.01   0.00
                     43                     44                     45
                      A                      A                      A
 Frequencies --   3038.2243              3096.6057              3116.6657
 Red. masses --      1.0754                 1.0970                 1.1021
 Frc consts  --      5.8489                 6.1975                 6.3077
 IR Inten    --     19.6066                28.8179                23.8105
 RamAct Fr= 1--     46.8543                94.6589                71.5898
  Dep-P Fr= 1--      0.5486                 0.3173                 0.6871
  Dep-U Fr= 1--      0.7085                 0.4817                 0.8145
 Alpha2 Fr= 1--      0.1806                 0.9213                 0.0791
 Beta2  Fr= 1--      5.5326                 7.5999                 9.7188
 AlphaG Fr= 1--      0.5543                -0.0104                -0.0454
 Gamma2 Fr= 1--      7.1078               -11.4017                -1.3929
 Delta2 Fr= 1--      0.8598                -9.8442                 1.1724
 Raman1 Fr= 1--     187.417                378.636                286.359
 ROA1   Fr= 1--     709.861              -1409.577                -96.203
 CID1   Fr= 1--       3.788                 -3.723                 -0.336
 Raman2 Fr= 1--      66.391                 91.199                116.625
 ROA2   Fr= 1--     163.708               -194.887                -42.810
 CID2   Fr= 1--       2.466                 -2.137                 -0.367
 Raman3 Fr= 1--     132.782                182.399                233.250
 ROA3   Fr= 1--     709.861              -1409.577                -96.203
 CID3   Fr= 1--       5.346                 -7.728                 -0.412
 RC180  Fr= 1--       0.417                 -0.037                  0.629
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
     2   6    -0.01  -0.03  -0.07    -0.00  -0.01  -0.02     0.00  -0.00  -0.00
     3   1    -0.00   0.00  -0.02    -0.00   0.00  -0.00     0.00   0.00  -0.00
     4   1     0.17   0.33   0.82     0.03   0.06   0.16    -0.00   0.00   0.00
     5   6     0.01   0.01  -0.01    -0.04  -0.06  -0.05     0.07  -0.06   0.01
     6   6    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
     7   1     0.03   0.07   0.18     0.10   0.22   0.56     0.02  -0.01   0.01
     8   1     0.10  -0.22  -0.01    -0.20   0.44   0.01    -0.29   0.71   0.03
     9   1    -0.28  -0.01  -0.05     0.59   0.02   0.09    -0.62  -0.04  -0.11
    10   6     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    11   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    12   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    13   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    15   1    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    16   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    17   1     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    18   1    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.01   0.01   0.00
    19   1    -0.00  -0.00  -0.00    -0.02  -0.03  -0.01    -0.03  -0.05  -0.01
                     46                     47                     48
                      A                      A                      A
 Frequencies --   3160.3657              3169.9116              3179.8401
 Red. masses --      1.0860                 1.0867                 1.0914
 Frc consts  --      6.3905                 6.4339                 6.5021
 IR Inten    --      7.1246                 0.4829                21.5036
 RamAct Fr= 1--     37.9434               104.5970                74.9785
  Dep-P Fr= 1--      0.5339                 0.5927                 0.6706
  Dep-U Fr= 1--      0.6961                 0.7443                 0.8028
 Alpha2 Fr= 1--      0.1584                 0.3060                 0.1056
 Beta2  Fr= 1--      4.4021                12.9750                10.0326
 AlphaG Fr= 1--     -0.1133                -0.0510                -0.1028
 Gamma2 Fr= 1--     -0.7030                 2.3330                -0.6459
 Delta2 Fr= 1--      0.7942                 0.8720                 1.4168
 Raman1 Fr= 1--     151.774                418.388                299.914
 ROA1   Fr= 1--     -42.077                251.869                -16.671
 CID1   Fr= 1--      -0.277                  0.602                 -0.056
 Raman2 Fr= 1--      52.825                155.700                120.391
 ROA2   Fr= 1--     -23.226                 49.016                -26.836
 CID2   Fr= 1--      -0.440                  0.315                 -0.223
 Raman3 Fr= 1--     105.651                311.401                240.783
 ROA3   Fr= 1--     -42.077                251.869                -16.671
 CID3   Fr= 1--      -0.398                  0.809                 -0.069
 RC180  Fr= 1--       0.392                  0.489                  0.606
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     4   1     0.00   0.00   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     6   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     7   1     0.00   0.00   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
     8   1    -0.02   0.06   0.00     0.01  -0.02  -0.00    -0.01   0.02   0.00
     9   1    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    10   6    -0.00   0.00   0.00    -0.01   0.01   0.00    -0.01   0.02   0.00
    11   6    -0.01  -0.01  -0.00    -0.03  -0.05  -0.01    -0.02  -0.04  -0.01
    12   6     0.02   0.00   0.00     0.04   0.00   0.01    -0.03   0.00  -0.00
    13   6    -0.02   0.03   0.00    -0.01   0.01   0.00     0.03  -0.05  -0.00
    14   6    -0.03  -0.06  -0.02     0.01   0.03   0.01    -0.02  -0.03  -0.01
    15   1     0.02  -0.04  -0.00     0.11  -0.17  -0.01     0.11  -0.17  -0.01
    16   1     0.07   0.14   0.03     0.31   0.61   0.14     0.23   0.46   0.10
    17   1    -0.23  -0.01  -0.03    -0.53  -0.02  -0.07     0.33   0.01   0.04
    18   1     0.26  -0.41  -0.04     0.08  -0.12  -0.01    -0.36   0.55   0.06
    19   1     0.36   0.72   0.18    -0.17  -0.33  -0.08     0.16   0.32   0.08
                     49                     50                     51
                      A                      A                      A
 Frequencies --   3192.4005              3201.4134              3780.6753
 Red. masses --      1.0948                 1.0933                 1.0659
 Frc consts  --      6.5738                 6.6019                 8.9763
 IR Inten    --     19.7703                 7.7905                18.7187
 RamAct Fr= 1--    147.4854               193.5328                57.1478
  Dep-P Fr= 1--      0.1234                 0.1056                 0.1531
  Dep-U Fr= 1--      0.2197                 0.1910                 0.2655
 Alpha2 Fr= 1--      2.4375                 3.3423                 0.8766
 Beta2  Fr= 1--      5.3995                 6.1613                 2.5289
 AlphaG Fr= 1--     -0.2783                 0.2084                 1.1598
 Gamma2 Fr= 1--     -2.0901                 2.8964                 7.5772
 Delta2 Fr= 1--     -4.0956                 2.4891                 1.6641
 Raman1 Fr= 1--     589.942                774.131                228.591
 ROA1   Fr= 1--    -331.708                357.707                780.664
 CID1   Fr= 1--      -0.562                  0.462                  3.415
 Raman2 Fr= 1--      64.794                 73.935                 30.346
 ROA2   Fr= 1--     -17.397                 49.601                168.540
 CID2   Fr= 1--      -0.268                  0.671                  5.554
 Raman3 Fr= 1--     129.588                147.870                 60.693
 ROA3   Fr= 1--    -331.708                357.707                780.664
 CID3   Fr= 1--      -2.560                  2.419                 12.863
 RC180  Fr= 1--      -0.561                 -0.618                 -0.469
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   8    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.02  -0.06
     2   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     3   1     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.04   0.35   0.93
     4   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.01
     5   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     7   1    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     8   1     0.00  -0.01  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    10   6    -0.02   0.03   0.00     0.04  -0.06  -0.00     0.00  -0.00  -0.00
    11   6    -0.01  -0.02  -0.00    -0.02  -0.03  -0.01    -0.00   0.00  -0.00
    12   6    -0.06  -0.00  -0.01    -0.02   0.00  -0.00     0.00  -0.00  -0.00
    13   6    -0.02   0.04   0.00    -0.01   0.01   0.00     0.00   0.00   0.00
    14   6     0.01   0.01   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    15   1     0.20  -0.32  -0.02    -0.47   0.73   0.05    -0.00   0.00   0.00
    16   1     0.09   0.19   0.04     0.17   0.34   0.08    -0.00  -0.00  -0.00
    17   1     0.69   0.03   0.08     0.24   0.01   0.03    -0.00   0.00   0.00
    18   1     0.29  -0.45  -0.05     0.07  -0.11  -0.01    -0.00   0.00  -0.00
    19   1    -0.08  -0.16  -0.04    -0.02  -0.04  -0.01     0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  8 and mass  15.99491
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  1 and mass   1.00783
 Atom     4 has atomic number  1 and mass   1.00783
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  1 and mass   1.00783
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  6 and mass  12.00000
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Molecular mass:   122.07317 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   520.958741552.451131940.40871
           X            0.99974   0.02097  -0.00937
           Y           -0.02084   0.99969   0.01351
           Z            0.00965  -0.01331   0.99986
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.16626     0.05579     0.04464
 Rotational constants (GHZ):           3.46427     1.16251     0.93008
 Zero-point vibrational energy     422266.0 (Joules/Mol)
                                  100.92399 (Kcal/Mol)
 Warning -- explicit consideration of  11 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     44.73   200.80   316.97   367.78   414.19
          (Kelvin)            468.95   571.55   596.61   672.40   761.77
                              883.12   918.20  1027.40  1087.63  1124.16
                             1232.92  1313.72  1327.23  1383.19  1408.10
                             1474.67  1482.82  1514.87  1536.80  1577.94
                             1620.81  1705.04  1735.19  1753.67  1847.91
                             1911.71  1932.26  1956.25  2025.36  2032.74
                             2135.35  2148.23  2148.77  2207.19  2343.77
                             2374.07  4354.40  4371.33  4455.32  4484.19
                             4547.06  4560.80  4575.08  4593.15  4606.12
                             5439.55
 
 Zero-point correction=                           0.160833 (Hartree/Particle)
 Thermal correction to Energy=                    0.169219
 Thermal correction to Enthalpy=                  0.170163
 Thermal correction to Gibbs Free Energy=         0.127253
 Sum of electronic and zero-point Energies=           -386.115055
 Sum of electronic and thermal Energies=              -386.106669
 Sum of electronic and thermal Enthalpies=            -386.105725
 Sum of electronic and thermal Free Energies=         -386.148635
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  106.186             32.278             90.312
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.313
 Rotational               0.889              2.981             28.841
 Vibrational            104.409             26.316             21.158
 Vibration     1          0.594              1.983              5.759
 Vibration     2          0.615              1.914              2.810
 Vibration     3          0.647              1.810              1.957
 Vibration     4          0.666              1.753              1.691
 Vibration     5          0.685              1.696              1.486
 Vibration     6          0.710              1.624              1.280
 Vibration     7          0.764              1.476              0.973
 Vibration     8          0.778              1.438              0.910
 Vibration     9          0.825              1.322              0.745
 Vibration    10          0.884              1.185              0.588
 Vibration    11          0.973              1.003              0.427
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.293651D-58        -58.532169       -134.775299
 Total V=0       0.279020D+16         15.445635         35.564888
 Vib (Bot)       0.123522D-71        -71.908256       -165.574878
 Vib (Bot)    1  0.665870D+01          0.823390          1.895925
 Vib (Bot)    2  0.145713D+01          0.163497          0.376467
 Vib (Bot)    3  0.897731D+00         -0.046854         -0.107884
 Vib (Bot)    4  0.761462D+00         -0.118352         -0.272515
 Vib (Bot)    5  0.665051D+00         -0.177145         -0.407892
 Vib (Bot)    6  0.574685D+00         -0.240570         -0.553933
 Vib (Bot)    7  0.449581D+00         -0.347192         -0.799440
 Vib (Bot)    8  0.425172D+00         -0.371436         -0.855262
 Vib (Bot)    9  0.361728D+00         -0.441618         -1.016863
 Vib (Bot)   10  0.302216D+00         -0.519682         -1.196613
 Vib (Bot)   11  0.239811D+00         -0.620130         -1.427903
 Vib (V=0)       0.117367D+03          2.069548          4.765310
 Vib (V=0)    1  0.717745D+01          0.855970          1.970944
 Vib (V=0)    2  0.204053D+01          0.309742          0.713207
 Vib (V=0)    3  0.152758D+01          0.184004          0.423685
 Vib (V=0)    4  0.141095D+01          0.149511          0.344261
 Vib (V=0)    5  0.133204D+01          0.124518          0.286712
 Vib (V=0)    6  0.126175D+01          0.100973          0.232500
 Vib (V=0)    7  0.117240D+01          0.069076          0.159054
 Vib (V=0)    8  0.115633D+01          0.063082          0.145252
 Vib (V=0)    9  0.111713D+01          0.048103          0.110761
 Vib (V=0)   10  0.108424D+01          0.035125          0.080878
 Vib (V=0)   11  0.105454D+01          0.023061          0.053100
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.530132D+08          7.724384         17.786052
 Rotational      0.448438D+06          5.651703         13.013527
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3                3333333 33                                             11 1111111111111111111                                  
     7                2111110 00                                             66 54444433322211000009999 8 77 7 66  5 443  3222  1    
     8                0987619 32                                             52 39981064281082965327621 5 85 1 31  2 619  2852  4  3 
     1                1200077 86                                             09 43343803949657783159123 7 16 4 84  9 757  6860  0  1 
 
     X                XXXXXXX XX                                             XX XXXXXXXXXXXXXXXXXXXXXXX X XX X XX  X XXX  XXXX  X  X 
     X                 XX  XX XX                                                XX XX   X X  XXXXX    X   XX X     X       X         
     X                 XX  XX X                                                     X     X  XX XX        XX X     X       X         
                           XX                                                       X        XX XX           X             X         
                            X                                                       X        XX  X           X             X         
                                                                                    X                        X             X         
                                                                                    X                                      X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
                                                                                                                           X         
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        8          -0.000003977    0.000004629   -0.000001523
      2        6           0.000011934   -0.000010061   -0.000005846
      3        1           0.000000818   -0.000001981    0.000000317
      4        1          -0.000003004    0.000000651    0.000000631
      5        6          -0.000002483   -0.000000322    0.000005709
      6        6          -0.000002629    0.000003240    0.000004686
      7        1           0.000000722    0.000000557   -0.000001050
      8        1           0.000003061    0.000000745   -0.000000752
      9        1           0.000000724    0.000000788    0.000000622
     10        6           0.000012685    0.000005202    0.000005888
     11        6          -0.000013367    0.000002205   -0.000001977
     12        6          -0.000000073   -0.000012869   -0.000002348
     13        6           0.000010194    0.000006624    0.000002206
     14        6          -0.000013060    0.000004238   -0.000000216
     15        1          -0.000000491   -0.000002145   -0.000004862
     16        1           0.000002634   -0.000000488   -0.000000521
     17        1           0.000000174    0.000002285   -0.000000152
     18        1          -0.000002035   -0.000000934   -0.000000282
     19        1          -0.000001829   -0.000002364   -0.000000529
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000013367 RMS     0.000004960
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.125821D+03  0.134265D+01  0.212323D+01
      2   0.134265D+01  0.104939D+03  0.534314D+01
      3   0.212323D+01  0.534314D+01  0.691555D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.646674D+00  0.534606D+00  0.690991D+01
      2   0.963226D+01  0.881400D+01 -0.137875D+01
      3  -0.652374D+01 -0.398476D+02 -0.840240D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.955967D+02  0.522729D+01  0.806941D+01
      2  -0.420952D+02 -0.135060D+02 -0.125744D+02
      3  -0.535015D+02  0.827868D+01  0.450504D+01
      4  -0.261154D+02  0.708397D+02  0.209443D+02
      5   0.268960D+02  0.224398D+02 -0.706501D+01
      6   0.839642D+01  0.977105D+01 -0.146943D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.241566D+01  0.220578D+01 -0.781570D+00  0.129635D+01 -0.226798D+01
      2   0.220578D+01 -0.136549D+01  0.949420D+00 -0.226798D+01  0.266364D+01
      3  -0.781570D+00  0.949420D+00 -0.815522D-01  0.120993D+01 -0.228680D+01
                 6             7             8             9            10 
      1   0.120993D+01 -0.179591D+01  0.141501D+01 -0.470855D+00  0.411864D+01
      2  -0.228680D+01  0.141501D+01 -0.277517D+01 -0.704715D+00  0.163977D+01
      3  -0.146179D+01 -0.470855D+00 -0.704715D+00 -0.459886D+01  0.612005D-01
                11            12            13            14            15 
      1   0.163977D+01  0.612005D-01  0.577929D+01  0.382698D+01 -0.121910D+01
      2   0.190243D+01 -0.983916D+00  0.382698D+01 -0.179270D+00  0.635620D+00
      3  -0.983916D+00  0.115963D+01 -0.121910D+01  0.635620D+00  0.393807D+01
                16            17            18            19            20 
      1  -0.154609D+00 -0.141731D+01  0.380265D+01 -0.604359D+00  0.461443D+00
      2  -0.141731D+01 -0.323641D+00  0.316301D+01  0.461443D+00 -0.495323D+00
      3   0.380265D+01  0.316301D+01  0.483954D+01  0.346984D+00 -0.207510D+00
                21            22            23            24            25 
      1   0.346984D+00  0.112015D+01 -0.817591D+00 -0.470536D+00  0.194250D+01
      2  -0.207510D+00 -0.817591D+00  0.222856D+01  0.110730D+01 -0.110892D+01
      3  -0.449258D+00 -0.470536D+00  0.110730D+01  0.163772D+01 -0.123552D+01
                26            27            28            29            30 
      1  -0.110892D+01 -0.123552D+01 -0.202488D+01 -0.717334D+00 -0.163315D+01
      2   0.275456D+01  0.214560D+01 -0.717334D+00 -0.637413D+00 -0.197111D+00
      3   0.214560D+01  0.428555D+01 -0.163315D+01 -0.197111D+00 -0.141172D+01
                31            32            33            34            35 
      1  -0.258101D+01 -0.157750D+01 -0.578083D+00 -0.406285D+01 -0.548459D+00
      2  -0.157750D+01 -0.118354D+01 -0.139219D+01 -0.548459D+00 -0.150953D+01
      3  -0.578083D+00 -0.139219D+01 -0.221058D+01 -0.280890D+01 -0.175437D+01
                36            37            38            39            40 
      1  -0.280890D+01  0.778687D+01  0.747409D+00  0.155935D+01 -0.249391D+01
      2  -0.175437D+01  0.747409D+00 -0.273672D+01  0.780405D+00 -0.342744D+01
      3  -0.727118D+01  0.155935D+01  0.780405D+00 -0.161580D+01  0.146449D+01
                41            42            43            44            45 
      1  -0.342744D+01  0.146449D+01  0.482440D+01  0.205472D+01 -0.198339D+01
      2   0.290251D+01  0.454553D+00  0.205472D+01  0.856803D+00 -0.288180D+01
      3   0.454553D+00 -0.304805D+01 -0.198339D+01 -0.288180D+01 -0.428390D+01
                46            47            48            49            50 
      1  -0.163909D+02 -0.242252D+01 -0.593669D+00 -0.306244D+01  0.197106D+01
      2  -0.242252D+01 -0.275780D+01 -0.158557D+00  0.197106D+01 -0.120981D+00
      3  -0.593669D+00 -0.158557D+00 -0.163646D+01  0.101281D+01  0.484249D-01
                51            52            53            54            55 
      1   0.101281D+01 -0.616041D+00  0.958987D+00 -0.377100D+01 -0.363980D+00
      2   0.484249D-01  0.958987D+00  0.723068D-02 -0.587970D+00  0.180928D+00
      3  -0.286815D+00 -0.377100D+01 -0.587970D+00 -0.152398D+01  0.579647D+00
                56            57            58            59            60 
      1   0.180928D+00  0.579647D+00  0.103120D+01  0.211423D+00 -0.508649D+00
      2   0.600960D+00 -0.106697D+00  0.211423D+00  0.550557D+00  0.993653D+00
      3  -0.106697D+00  0.106656D+01 -0.508649D+00  0.993653D+00  0.219538D+01
                61            62            63            64            65 
      1   0.123661D+01  0.592036D-01 -0.664303D+00  0.574028D+00 -0.819610D+00
      2   0.592036D-01  0.142545D+01  0.682805D+00 -0.819610D+00  0.163908D+01
      3  -0.664303D+00  0.682805D+00  0.710867D+01 -0.272014D+00 -0.357216D+00
                66            67            68            69            70 
      1  -0.272014D+00 -0.183515D+01  0.450240D+00  0.111198D+00 -0.586358D+00
      2  -0.357216D+00  0.450240D+00 -0.720230D+01  0.632674D+00 -0.280927D+00
      3   0.645927D+00  0.111198D+00  0.632674D+00 -0.109463D+01  0.234673D+00
                71            72            73            74            75 
      1  -0.280927D+00  0.234673D+00 -0.130985D+02 -0.220632D+01  0.106467D+00
      2   0.244018D+00 -0.656170D+00 -0.220632D+01 -0.142643D+01  0.146098D+00
      3  -0.656170D+00  0.563969D+00  0.106467D+00  0.146098D+00 -0.128189D+01
                76            77            78            79            80 
      1  -0.585135D+00 -0.110432D+01 -0.194400D+00 -0.212946D+01 -0.457425D+00
      2  -0.110432D+01 -0.825046D+00 -0.760054D-01 -0.457425D+00 -0.546093D+00
      3  -0.194400D+00 -0.760054D-01  0.250977D+00 -0.100044D+01  0.814144D-01
                81            82            83            84            85 
      1  -0.100044D+01  0.484205D+01 -0.923476D+00  0.235439D+00  0.780523D+01
      2   0.814144D-01 -0.923476D+00 -0.310202D+01 -0.899133D+00 -0.469711D-01
      3  -0.783682D-01  0.235439D+00 -0.899133D+00 -0.154890D+01  0.102428D+00
                86            87            88            89            90 
      1  -0.469711D-01  0.102428D+00  0.253967D+01 -0.398307D+00 -0.175402D+01
      2   0.168430D+01 -0.487220D+00 -0.398307D+00 -0.125004D+01  0.366103D+01
      3  -0.487220D+00  0.166970D+01 -0.175402D+01  0.366103D+01  0.961278D+00
                91            92            93            94            95 
      1  -0.331779D+01 -0.685802D-01 -0.488650D+00  0.491034D+01 -0.248067D-01
      2  -0.685802D-01  0.278019D+01 -0.303671D+00 -0.248067D-01  0.129758D+01
      3  -0.488650D+00 -0.303671D+00  0.832837D+00 -0.139310D+00 -0.671314D+00
                96            97            98            99           100 
      1  -0.139310D+00  0.241951D+00 -0.852796D+00  0.212917D+01  0.582737D+01
      2  -0.671314D+00 -0.852796D+00 -0.602927D+00  0.370241D+01  0.281561D+00
      3   0.153710D+01  0.212917D+01  0.370241D+01  0.218263D+01 -0.553064D+00
               101           102           103           104           105 
      1   0.281561D+00 -0.553064D+00  0.841847D+00 -0.595290D+00 -0.108449D+01
      2   0.314419D+01  0.148972D+00 -0.595290D+00 -0.559478D-01 -0.353359D+00
      3   0.148972D+00  0.215871D+01 -0.108449D+01 -0.353359D+00 -0.121629D+00
               106           107           108           109           110 
      1  -0.543662D+00 -0.107571D+01  0.519796D+01 -0.241872D+01 -0.254247D+00
      2  -0.107571D+01  0.158864D+00  0.802013D-01 -0.254247D+00  0.252196D+01
      3   0.519796D+01  0.802013D-01  0.115720D+01 -0.455802D+00  0.839918D+00
               111           112           113           114           115 
      1  -0.455802D+00 -0.543122D+01 -0.340160D+00 -0.836202D+00 -0.178800D+01
      2   0.839918D+00 -0.340160D+00 -0.107976D+01  0.846640D+00 -0.171764D+00
      3   0.139974D+01 -0.836202D+00  0.846640D+00 -0.163634D+01  0.277012D+01
               116           117           118           119           120 
      1  -0.171764D+00  0.277012D+01  0.385419D+01  0.174749D+01  0.508141D+00
      2   0.152012D+01 -0.332456D+01  0.174749D+01 -0.277088D+01  0.669537D-01
      3  -0.332456D+01 -0.911849D+00  0.508141D+00  0.669537D-01 -0.845843D+00
               121           122           123           124           125 
      1  -0.650451D+01 -0.972188D+00  0.181323D+00 -0.193275D+00  0.853508D+00
      2  -0.972188D+00 -0.154532D+01  0.858967D+00  0.853508D+00  0.448563D+00
      3   0.181323D+00  0.858967D+00 -0.130119D+01 -0.988547D+00 -0.336980D+01
               126           127           128           129           130 
      1  -0.988547D+00 -0.387725D+01  0.221804D+01  0.166875D+00  0.202382D+01
      2  -0.336980D+01  0.221804D+01 -0.252616D+01 -0.522812D-01 -0.267772D+01
      3  -0.230242D+01  0.166875D+00 -0.522812D-01 -0.214380D+00 -0.203124D+00
               131           132           133           134           135 
      1  -0.267772D+01 -0.203124D+00 -0.333244D+00  0.342294D-01  0.142411D+00
      2   0.689917D+01  0.441038D+00  0.342294D-01  0.432804D+00  0.363979D-01
      3   0.441038D+00  0.795525D+00  0.142411D+00  0.363979D-01 -0.183897D-01
               136           137           138           139           140 
      1   0.280213D+01  0.288720D+01  0.709435D+00  0.266507D+01  0.394151D+01
      2   0.288720D+01  0.309222D+01  0.711161D+00  0.394151D+01  0.847210D+01
      3   0.709435D+00  0.711161D+00  0.620638D+00  0.787312D+00  0.157529D+01
               141           142           143           144           145 
      1   0.787312D+00  0.706782D+00  0.951072D+00  0.268101D+00  0.127823D+02
      2   0.157529D+01  0.951072D+00  0.174465D+01  0.390294D+00  0.370540D+00
      3   0.120020D+01  0.268101D+00  0.390294D+00  0.251631D+00  0.127547D+01
               146           147           148           149           150 
      1   0.370540D+00  0.127547D+01  0.262404D+00  0.152359D+01  0.307012D+00
      2   0.801048D+00  0.491506D-02  0.152359D+01  0.146271D+00  0.165034D+00
      3   0.491506D-02  0.110751D+01  0.307012D+00  0.165034D+00  0.878372D-01
               151           152           153           154           155 
      1   0.159361D+01  0.330373D+00  0.159467D+00  0.390212D+01 -0.343048D+01
      2   0.330373D+00  0.958215D-01  0.227096D-01 -0.343048D+01  0.343677D+01
      3   0.159467D+00  0.227096D-01  0.195049D+00 -0.311414D+00  0.239223D+00
               156           157           158           159           160 
      1  -0.311414D+00 -0.330236D+01  0.429723D+01  0.588522D+00 -0.203492D+00
      2   0.239223D+00  0.429723D+01 -0.739548D+01 -0.824985D+00  0.405825D+00
      3   0.538781D+00  0.588522D+00 -0.824985D+00 -0.926685D+00  0.736723D-01
               161           162           163           164           165 
      1   0.405825D+00  0.736723D-01 -0.197759D+01 -0.189760D+01 -0.459674D+00
      2  -0.928375D+00 -0.211274D+00 -0.189760D+01 -0.210059D+01 -0.620974D+00
      3  -0.211274D+00 -0.151070D+00 -0.459674D+00 -0.620974D+00 -0.444538D+00
               166           167           168           169           170 
      1  -0.193998D+01 -0.237007D+01 -0.531128D+00 -0.678616D+00 -0.751306D+00
      2  -0.237007D+01 -0.725703D+01 -0.166733D+01 -0.751306D+00 -0.175311D+01
      3  -0.531128D+00 -0.166733D+01 -0.122478D+01 -0.101241D+00 -0.475227D+00
               171 
      1  -0.101241D+00
      2  -0.475227D+00
      3  -0.405516D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.137899D+00 -0.116952D+00  0.725968D+00  0.186303D+00 -0.146948D+00
      2  -0.375336D+00 -0.131228D+00  0.434508D+01 -0.910193D+00  0.402639D+01
      3   0.460941D+01 -0.883043D+01  0.656430D+00  0.182191D+01  0.737593D+01
                 6             7             8             9            10 
      1  -0.952250D+00 -0.403574D+01  0.628561D+01  0.807076D+01 -0.208213D+01
      2   0.280230D+01 -0.100228D+01  0.382824D+01  0.111897D+02  0.115074D+01
      3  -0.555496D+01 -0.143767D-01 -0.626343D+01 -0.243262D+01  0.668936D+01
                11            12            13            14            15 
      1  -0.210141D+00  0.830777D+00 -0.131913D+01 -0.112990D+00  0.482286D+00
      2   0.144553D+01 -0.850508D+00  0.396400D+01  0.927391D+00 -0.623010D+01
      3   0.191766D+01 -0.318066D+00  0.130817D+02 -0.676904D+01  0.129856D+01
                16            17            18            19            20 
      1   0.422498D+01  0.506732D+01 -0.740199D+00 -0.454336D+00  0.368990D+00
      2  -0.146971D+02 -0.684773D+01 -0.718123D+01 -0.203619D+01  0.698286D+00
      3  -0.638614D+00 -0.136414D+01  0.597541D+01  0.217217D+01 -0.404893D+00
                21            22            23            24            25 
      1   0.546241D+00  0.939201D+00 -0.283644D+01 -0.374255D+01  0.285161D+01
      2   0.116359D+01  0.839416D+00 -0.317993D+01 -0.438503D+01  0.849883D+00
      3   0.633333D-01  0.415243D+00  0.457267D+01  0.280071D+01  0.492801D-01
                26            27            28            29            30 
      1  -0.285904D+01 -0.879327D+01 -0.606279D+00  0.106410D+01 -0.589428D+00
      2  -0.595741D+01 -0.111014D+02  0.150524D+01  0.319254D+00  0.271330D+01
      3   0.687003D+01  0.510591D+01 -0.157710D+01 -0.322979D+01 -0.229999D+00
                31            32            33            34            35 
      1   0.109484D+01  0.709675D+00 -0.887422D+00 -0.105526D+01  0.222721D+01
      2  -0.374315D+00  0.131396D+01  0.405979D+01  0.137710D+01  0.275494D+01
      3  -0.190167D+01 -0.137332D+01 -0.293859D+01 -0.424837D-01 -0.301087D+01
                36            37            38            39            40 
      1  -0.128903D+01  0.375216D+01 -0.202323D+01 -0.230710D+01  0.586754D+00
      2   0.118662D+02 -0.109022D+02 -0.365047D+01  0.623097D+01 -0.538177D+01
      3  -0.352892D+01 -0.764760D+01 -0.128332D+02 -0.535652D-02 -0.768774D+01
                41            42            43            44            45 
      1   0.629671D+01 -0.648590D+01 -0.122943D+01 -0.255028D+01 -0.657236D+01
      2  -0.422418D-01  0.720708D+01  0.166665D+01  0.702772D+01  0.119818D+02
      3   0.153647D+02 -0.603726D-01  0.170516D+01 -0.726659D+00 -0.635868D+01
                46            47            48            49            50 
      1   0.850917D+00 -0.895346D+00 -0.416520D+00 -0.321970D+01 -0.162703D+01
      2   0.332984D-01 -0.171910D+01 -0.131647D+01 -0.156293D+01  0.483842D+00
      3  -0.734109D+01  0.601185D+01  0.663400D+00  0.153286D+02 -0.248627D+00
                51            52            53            54            55 
      1   0.713141D+00  0.985783D+00  0.101283D+02  0.240726D+01  0.985075D+00
      2   0.929269D+00 -0.121484D+02  0.528211D+00  0.137126D+00 -0.193801D+01
      3   0.189522D+00 -0.386978D+00  0.244277D+01 -0.971892D+00  0.967420D+00
                56            57            58            59            60 
      1   0.105866D+01  0.859614D+00  0.156850D+00  0.242726D+01  0.201732D+01
      2  -0.451646D-01 -0.236649D+01 -0.233857D+00 -0.271041D+01 -0.535269D+01
      3   0.111694D+01 -0.762634D+00  0.122798D+01  0.117149D+01  0.270221D+01
                61            62            63            64            65 
      1  -0.443907D+00  0.505634D+01  0.916363D+01 -0.173078D+01  0.142867D+01
      2  -0.244116D+01 -0.243222D+01 -0.175745D+02 -0.309340D+00  0.117084D+01
      3  -0.108373D+01  0.391369D+01  0.262224D+01 -0.597461D+01  0.568909D+01
                66            67            68            69            70 
      1   0.161057D+01  0.129791D+01 -0.529856D+01 -0.305240D+01  0.658923D+00
      2  -0.897766D+00  0.126398D+01 -0.239847D+01  0.209450D+01 -0.149578D+01
      3   0.130345D+00  0.784381D+01 -0.198790D+02  0.123525D+01  0.818793D+00
                71            72            73            74            75 
      1   0.447282D+00  0.213929D+00 -0.496338D+00 -0.883748D+00 -0.185071D+01
      2   0.125020D+01 -0.125506D+01  0.712149D+01  0.749881D+00  0.640432D+01
      3   0.607130D+00 -0.228250D+01  0.870981D+01 -0.487271D+01  0.443699D+00
                76            77            78            79            80 
      1  -0.670233D+00 -0.617247D+00 -0.390684D+00 -0.122320D+01  0.684201D+00
      2   0.113449D+01  0.570210D+00 -0.443406D+00  0.217766D+01 -0.407311D+00
      3  -0.658869D+00 -0.176208D+01 -0.209672D+00  0.281135D+00 -0.995861D+00
                81            82            83            84            85 
      1  -0.124259D-01 -0.114935D+01  0.728122D-01  0.195720D+01 -0.998467D+00
      2   0.770203D+00  0.246941D+01 -0.840062D-01 -0.542477D+00  0.315788D+01
      3   0.159798D+01  0.777622D+01 -0.123303D+01  0.151723D+01  0.646779D+01
                86            87            88            89            90 
      1  -0.955287D-01 -0.224959D+01  0.565190D+01  0.250029D+01  0.291665D-01
      2   0.109088D+01  0.963147D+00 -0.126185D+02  0.378773D+00 -0.538961D+00
      3  -0.570682D+01  0.432318D+00  0.190665D+01 -0.117497D+01 -0.543846D+01
                91            92            93            94            95 
      1   0.119820D+01  0.634540D+00 -0.123627D+01  0.932316D+00 -0.635295D-01
      2   0.156573D-01  0.116815D+01  0.633929D+00  0.101384D+01 -0.257114D+01
      3  -0.376235D+01 -0.103313D+02 -0.182867D+01  0.492951D+01 -0.210950D+01
                96            97            98            99           100 
      1  -0.211224D+01 -0.555644D+01  0.155613D+01 -0.786885D+00  0.101383D+00
      2   0.407087D+01 -0.719891D+01  0.958570D+01  0.359536D+01 -0.141847D+00
      3   0.152457D+01 -0.469062D+00  0.174424D+01 -0.505934D+01  0.646022D+00
               101           102           103           104           105 
      1  -0.101159D+01 -0.431536D+00 -0.119921D+01 -0.254951D+01  0.107861D+01
      2   0.462887D-01  0.609079D+01 -0.345400D+01  0.486508D-01 -0.483208D+00
      3  -0.657421D+01 -0.111127D+00  0.116059D+02  0.349859D+01  0.171520D+01
               106           107           108           109           110 
      1  -0.916219D+00  0.113777D+02  0.185771D+01 -0.107758D+01  0.521553D-01
      2   0.778462D+01  0.528205D+00  0.175260D+01 -0.519242D+00  0.233620D+01
      3   0.355249D+01  0.104929D+01  0.931690D+00 -0.133283D+01 -0.132438D+02
               111           112           113           114           115 
      1   0.188482D+01 -0.147549D+01  0.333136D+00 -0.185042D+01  0.669894D+01
      2   0.218980D+01 -0.826371D+00  0.268075D+01 -0.393471D+01 -0.527641D+01
      3  -0.217884D+01  0.403963D+01 -0.140288D+01 -0.177168D+01 -0.429558D+00
               116           117           118           119           120 
      1   0.251002D+01  0.158391D+01  0.259395D+00  0.871007D+00 -0.145693D+01
      2  -0.101949D+02 -0.256599D+01  0.317670D+01  0.144903D+01 -0.464707D+00
      3  -0.400515D+01  0.386666D+01  0.163641D+00 -0.166489D+01 -0.183866D+01
               121           122           123           124           125 
      1   0.145839D+01 -0.722823D+00 -0.215528D+01 -0.567414D+01  0.230118D+01
      2   0.124546D+01 -0.142259D+01 -0.150524D+01 -0.131849D+02 -0.103110D+01
      3   0.873613D+00  0.791671D+01  0.250227D+00 -0.406575D+01 -0.385054D+00
               126           127           128           129           130 
      1  -0.128318D+01  0.231254D+00 -0.518347D+00  0.157286D+01  0.243967D+00
      2  -0.322014D+01  0.768015D+00 -0.428200D+00  0.183962D+00 -0.477276D+00
      3   0.587481D+01 -0.120131D+02  0.441582D+01  0.480219D+00  0.652733D+01
               131           132           133           134           135 
      1  -0.186733D-01 -0.331392D+01 -0.650729D+00  0.180460D+01  0.902077D-01
      2   0.892903D+00 -0.763369D+00 -0.145502D+01  0.388745D+00 -0.100270D+00
      3  -0.628139D+01 -0.685088D+00 -0.684727D+00  0.359987D+00  0.281780D+00
               136           137           138           139           140 
      1  -0.228155D+00 -0.159649D-01 -0.194609D+01 -0.800651D-01  0.540062D+00
      2   0.509703D+00  0.834253D+00  0.210609D+01  0.595283D+00  0.249949D+01
      3  -0.947261D+00 -0.307945D+01 -0.519183D+00 -0.187504D+01 -0.127566D+02
               141           142           143           144           145 
      1  -0.403980D+01  0.630285D+00  0.179531D+01 -0.482977D+00 -0.827310D-01
      2   0.350903D+01 -0.449558D+00 -0.195946D+00  0.629877D+00  0.178446D+01
      3  -0.218263D+01 -0.444606D+00 -0.252177D+01 -0.305542D+00  0.155657D+00
               146           147           148           149           150 
      1   0.450096D+00 -0.214417D+00  0.223656D+00 -0.881858D-02 -0.295965D+00
      2  -0.131279D+00  0.643708D+01  0.119980D+01  0.326015D+00  0.391201D+00
      3  -0.523999D+01  0.217708D+00 -0.376992D+01 -0.297465D+00 -0.406239D+00
               151           152           153           154           155 
      1   0.615208D-01  0.472593D+00 -0.259130D-01  0.257587D+00 -0.597186D+00
      2  -0.235795D+01  0.885127D-01  0.673060D+00  0.286507D+00 -0.346415D+00
      3  -0.114477D+01 -0.587260D+00 -0.277353D+00  0.105284D+01 -0.424705D+01
               156           157           158           159           160 
      1   0.208013D+01  0.235122D+00  0.203992D+00 -0.365463D+01 -0.836503D+00
      2   0.236230D+01  0.410823D+00 -0.913294D+00 -0.329170D+01 -0.642689D+00
      3  -0.263049D-01 -0.280464D+01  0.117535D+02  0.957021D+00 -0.676263D+00
               161           162           163           164           165 
      1   0.147538D+01 -0.278388D+00  0.409598D+00  0.271480D+00 -0.161918D+01
      2   0.575408D+00 -0.274632D+00 -0.153601D+01 -0.101041D+01  0.155233D+00
      3   0.183099D+01  0.301652D+00  0.698135D+01  0.416568D+01  0.974323D+00
               166           167           168           169           170 
      1   0.543932D+00  0.915823D+00 -0.368632D+01  0.529721D+00  0.218768D+01
      2  -0.160427D+01 -0.162241D+01  0.362260D+00 -0.180383D+01 -0.541441D+00
      3   0.745147D+01  0.760652D+01  0.176728D+01  0.176741D+01  0.221705D+01
               171 
      1  -0.479781D+00
      2   0.152704D+00
      3   0.971887D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.191008D+02 -0.424724D+01  0.304921D+01 -0.768594D+01  0.217521D+01
      2  -0.761821D+01 -0.125496D+01 -0.144166D+01 -0.237802D+00  0.898134D+01
      3  -0.114825D+02  0.550221D+01 -0.160755D+01  0.792374D+01 -0.111566D+02
      4  -0.144762D+02  0.174164D+02 -0.554671D+01  0.217034D+02 -0.196018D+02
      5   0.518827D+01 -0.467538D+01  0.792722D+01 -0.817652D+01  0.113584D+02
      6  -0.315161D+01  0.187165D+01 -0.274801D+01  0.343720D+01 -0.854369D+01
                 6             7             8             9            10 
      1   0.621507D+00  0.347764D+01  0.189808D+01  0.168209D+01  0.812357D+01
      2  -0.277927D+01 -0.215540D+01 -0.425278D+01 -0.709750D+01 -0.264048D+01
      3   0.215776D+01 -0.132224D+01  0.235471D+01  0.541542D+01 -0.548309D+01
      4   0.114137D+02 -0.943084D+01  0.139469D+02  0.326081D+01 -0.609384D+01
      5   0.405260D+01  0.704083D+01  0.293079D+01  0.227227D+02  0.195660D-01
      6   0.398139D+01  0.728122D+00  0.189280D+00 -0.131569D+02  0.133560D+01
                11            12            13            14            15 
      1   0.127231D+01 -0.114118D+01  0.390711D+01 -0.733919D+01  0.393459D+01
      2   0.155043D+01  0.652472D+00  0.346780D+01  0.313333D+01 -0.252371D+00
      3  -0.282275D+01  0.488707D+00 -0.737491D+01  0.420586D+01 -0.368222D+01
      4  -0.154591D+02  0.402636D+01 -0.259908D+02  0.492498D+01 -0.242690D+01
      5   0.434339D+01 -0.104162D+02  0.890210D+01 -0.257412D+01 -0.148212D+02
      6   0.203477D+01 -0.177972D+01  0.120314D+01  0.463482D+01 -0.873856D+01
                16            17            18            19            20 
      1   0.113089D+02  0.416518D+01 -0.245735D+00  0.311362D+01 -0.323607D+01
      2   0.128976D+01  0.287980D+01  0.822867D+01 -0.149599D+01  0.106936D+01
      3  -0.125987D+02 -0.704498D+01 -0.798294D+01 -0.161763D+01  0.216671D+01
      4   0.991099D+01  0.332850D+01 -0.164824D+02 -0.414025D+01  0.250677D+01
      5  -0.195702D+02 -0.151845D+02 -0.197308D+02 -0.224838D+01  0.159322D+01
      6  -0.987213D+01 -0.403689D+01 -0.436931D+01  0.138821D+01 -0.403303D-01
                21            22            23            24            25 
      1  -0.253571D+01 -0.368801D+01 -0.293661D+01 -0.127854D+01 -0.490625D+01
      2   0.666064D+00  0.408512D+00  0.553100D+01  0.295484D+01  0.213880D+01
      3   0.186964D+01  0.327949D+01 -0.259439D+01 -0.167630D+01  0.276745D+01
      4   0.223917D+01  0.581048D+01 -0.103220D+02 -0.576012D+01  0.778217D+01
      5   0.256150D+01  0.258380D+01 -0.532302D+01 -0.764006D+01  0.701971D+01
      6  -0.712405D+00 -0.158395D+01  0.445325D+01  0.670437D+01 -0.382213D+01
                26            27            28            29            30 
      1  -0.110058D+01 -0.270728D+01  0.436265D+01  0.115601D+01  0.392215D+01
      2   0.335626D+01  0.193531D+01 -0.587433D+01 -0.115791D+01 -0.438054D+01
      3  -0.225568D+01  0.771969D+00  0.151168D+01  0.189775D-02  0.458387D+00
      4  -0.133970D+02 -0.106912D+02  0.429469D+01  0.611656D+01  0.202422D+01
      5  -0.102441D+02 -0.202001D+02  0.940279D+01  0.201916D+01  0.116912D+02
      6   0.840897D+01  0.127146D+02  0.251700D+01  0.255506D+00  0.163615D+01
                31            32            33            34            35 
      1   0.124618D+01 -0.199419D+01 -0.321976D+01  0.274482D+01 -0.287015D+01
      2  -0.248240D+01 -0.352615D+00 -0.592389D+00 -0.818613D+01 -0.212444D+01
      3   0.123622D+01  0.234681D+01  0.381215D+01  0.544131D+01  0.499459D+01
      4   0.943447D+01  0.554828D+01  0.634274D+01  0.340402D+01  0.685125D+01
      5   0.361846D+01  0.605957D+01  0.945470D+01  0.179149D+02  0.786259D+01
      6   0.245293D+01  0.471167D+01  0.858513D+01  0.483990D+01  0.643758D+01
                36            37            38            39            40 
      1  -0.101707D+02 -0.524178D+02 -0.147244D+02 -0.165485D+01 -0.715039D+01
      2  -0.136953D+02  0.220422D+02  0.139628D+02  0.389387D+01  0.638583D+01
      3   0.238660D+02  0.303756D+02  0.761544D+00 -0.223901D+01  0.764560D+00
      4   0.813064D+01 -0.159382D+02  0.117507D+02 -0.443472D+01  0.172717D+02
      5   0.309429D+02 -0.279993D+01 -0.208156D+01  0.974023D+01 -0.752181D+01
      6   0.102436D+02 -0.397130D+01 -0.562355D+01  0.370284D+01 -0.593485D+01
                41            42            43            44            45 
      1   0.199623D+02  0.193120D+01 -0.118082D+02 -0.226237D+00  0.116170D+02
      2  -0.215064D+02  0.580604D+01  0.579932D+01  0.369681D+01  0.776361D+01
      3   0.154415D+01 -0.773724D+01  0.600893D+01 -0.347057D+01 -0.193806D+02
      4  -0.730793D+01 -0.291400D+01 -0.145496D+02 -0.437248D+01  0.179562D+02
      5  -0.583520D+01  0.142297D+02  0.138594D+02  0.148484D+02  0.164282D+02
      6  -0.265039D+00  0.621929D+01  0.747487D+01  0.615769D+01 -0.153567D+01
                46            47            48            49            50 
      1  -0.191630D+02  0.360132D-01  0.581029D-01  0.161745D+01 -0.851601D+01
      2   0.600887D+01 -0.664864D+00 -0.222873D+00 -0.196539D+01  0.130411D+02
      3   0.131542D+02  0.628851D+00  0.164770D+00  0.347935D+00 -0.452507D+01
      4   0.113313D+02  0.465240D+01  0.468232D+00 -0.122377D+02 -0.225123D+01
      5  -0.807654D+00 -0.367192D-01  0.660162D+00 -0.340057D+01 -0.936249D+00
      6  -0.109545D+01  0.285488D+00  0.124261D+00 -0.251158D+01  0.266286D+01
                51            52            53            54            55 
      1  -0.203742D+00 -0.659992D+01 -0.111145D+01 -0.969870D+01  0.322403D+01
      2   0.387730D+01  0.130136D+01  0.165865D+01 -0.369671D+01 -0.373746D+01
      3  -0.367356D+01  0.529856D+01 -0.547204D+00  0.133954D+02  0.513430D+00
      4  -0.153951D+01 -0.328145D+01 -0.170155D+01  0.295341D+01  0.402955D+00
      5   0.169656D+01  0.309590D+01  0.215766D+01 -0.594472D-01 -0.219588D+01
      6  -0.167904D+01 -0.881305D+00  0.461636D+01 -0.372158D+01  0.143435D+00
                56            57            58            59            60 
      1   0.625729D+00 -0.587574D+01 -0.254334D+01 -0.457849D+01 -0.232625D+01
      2  -0.126242D+01  0.496839D+00  0.205673D+01  0.100652D+01 -0.539171D+01
      3   0.636694D+00  0.537890D+01  0.486604D+00  0.357197D+01  0.771797D+01
      4  -0.204873D+01 -0.396321D+00 -0.431128D+00 -0.361224D+01 -0.486744D+01
      5   0.940962D+00  0.954276D-01  0.417855D+01 -0.365322D+01 -0.979061D+01
      6   0.164156D+01 -0.987263D+00  0.862364D-01  0.230361D+01  0.329272D+01
                61            62            63            64            65 
      1  -0.594959D+01 -0.753731D+00 -0.159922D+02 -0.142590D+01  0.908933D+01
      2   0.461014D+01 -0.406304D+01 -0.169008D+02  0.406034D+01 -0.977471D+01
      3   0.133945D+01  0.481677D+01  0.328930D+02 -0.263444D+01  0.685381D+00
      4  -0.186951D+01 -0.730492D+01 -0.542723D+01  0.104590D+01 -0.273930D+01
      5   0.840140D+01 -0.308883D+01 -0.303470D+02  0.170567D+01 -0.311573D+00
      6   0.798281D+00  0.440807D+01 -0.684321D+01 -0.166259D+00  0.285710D+01
                66            67            68            69            70 
      1  -0.100501D+01  0.933940D+01 -0.241265D+02  0.231258D+01  0.153384D+01
      2  -0.984767D-01 -0.648894D+01  0.364808D+02 -0.130604D+01 -0.870904D+00
      3   0.110348D+01 -0.285046D+01 -0.123543D+02 -0.100655D+01 -0.662934D+00
      4   0.115653D+01  0.446209D+01  0.278955D+02 -0.254894D+01  0.208461D+01
      5  -0.201731D+01 -0.291488D+01 -0.458631D+00  0.412565D+01  0.152776D+00
      6  -0.265814D+01  0.574246D+00 -0.971838D+01  0.643586D+01 -0.138616D+01
                71            72            73            74            75 
      1   0.178366D+01 -0.516562D+01  0.819729D+02  0.102609D+02  0.201638D+01
      2  -0.510671D+00  0.267274D+01 -0.393235D+02 -0.220897D+01  0.680012D+00
      3  -0.127299D+01  0.249288D+01 -0.426495D+02 -0.805198D+01 -0.269639D+01
      4  -0.318528D+00  0.129295D+01  0.305979D+02  0.154493D+02 -0.225346D+00
      5   0.190581D+01 -0.185809D+01 -0.967843D+01 -0.191223D+01  0.109355D+02
      6   0.590951D+01 -0.102838D+01 -0.620122D+00 -0.158801D+01  0.344779D+01
                76            77            78            79            80 
      1   0.237454D+01  0.493265D+01  0.122706D+00  0.100900D+02  0.893831D+00
      2   0.125283D+01  0.374714D+00 -0.480185D+00 -0.407266D+01 -0.493628D-01
      3  -0.362737D+01 -0.530737D+01  0.357478D+00 -0.601739D+01 -0.844469D+00
      4   0.118617D+02  0.647697D+01  0.600963D+00  0.445492D+01  0.313231D+01
      5   0.407563D+00 -0.837136D-01 -0.693044D+00  0.928608D+01  0.164662D+00
      6  -0.669379D+00 -0.622986D+00  0.792504D+00  0.275611D+01  0.729735D+00
                81            82            83            84            85 
      1   0.587718D+01  0.423748D+01  0.156376D+02  0.491044D+01 -0.174218D+01
      2  -0.497109D+01 -0.479209D+01 -0.116857D+02 -0.198759D+01  0.104344D+02
      3  -0.906097D+00  0.554612D+00 -0.395200D+01 -0.292285D+01 -0.869219D+01
      4   0.104941D+01  0.861029D+01 -0.114393D+02  0.241460D-01  0.444445D+01
      5   0.787692D+00  0.210869D+01 -0.120083D+00 -0.512027D+00  0.189799D+01
      6   0.760872D+00  0.312040D+01 -0.361485D+01 -0.420641D+01  0.543240D+01
                86            87            88            89            90 
      1   0.348038D+01  0.242270D+01  0.104231D+01  0.443402D+01 -0.150518D+02
      2  -0.794919D+01 -0.185219D+01  0.216477D+01 -0.591135D+01  0.319699D+01
      3   0.446882D+01 -0.570512D+00 -0.320708D+01  0.147733D+01  0.118548D+02
      4   0.141729D+02  0.198630D+01  0.104498D+01 -0.176392D+01  0.271636D+01
      5   0.189552D+01  0.665738D+00  0.395927D+01  0.285356D+01 -0.168034D+01
      6  -0.318188D+01  0.545573D+01 -0.363032D+01  0.148265D+02  0.721269D+00
                91            92            93            94            95 
      1   0.313812D+01 -0.216442D+02 -0.233103D+01  0.244014D+02  0.107480D+02
      2  -0.330465D+01  0.148520D+02  0.127373D+01 -0.217357D+02 -0.135375D+02
      3   0.166528D+00  0.679221D+01  0.105730D+01 -0.266567D+01  0.278952D+01
      4  -0.123069D+02 -0.508379D+01 -0.528607D+01  0.708396D+01 -0.383720D+01
      5  -0.431503D+01 -0.488238D+01 -0.604904D+00 -0.981008D-02 -0.501357D+01
      6  -0.553868D+01 -0.176878D+01  0.327866D+01 -0.419752D+01 -0.826903D+01
                96            97            98            99           100 
      1   0.269933D+01  0.242684D+01 -0.310457D+01 -0.456334D+01 -0.821747D+01
      2  -0.519535D+01 -0.630679D+01 -0.477189D+01 -0.480222D+01  0.586684D+01
      3   0.249602D+01  0.387995D+01  0.787646D+01  0.936557D+01  0.235062D+01
      4  -0.470541D+01 -0.493905D+01 -0.889689D+01  0.150609D+02 -0.141385D+01
      5   0.877077D+01  0.129126D+02  0.154568D+02  0.730403D+01 -0.759684D+01
      6   0.360495D+01  0.655043D+01  0.138156D+02  0.287969D+01  0.955265D+00
               101           102           103           104           105 
      1  -0.537775D+00 -0.624132D+01  0.401075D+01 -0.223164D+02 -0.649016D+01
      2   0.444463D+00  0.382904D+01 -0.220631D+01  0.185080D+02  0.775107D+01
      3   0.933122D-01  0.241228D+01 -0.180444D+01  0.380838D+01 -0.126091D+01
      4   0.220165D+02  0.127062D+01 -0.203184D+02 -0.631589D+01 -0.369535D+01
      5   0.115694D+01  0.134199D+02 -0.980464D+01 -0.260266D+01 -0.142726D+01
      6   0.837170D+00  0.105380D+01 -0.300502D+01  0.312173D+01 -0.237825D+01
               106           107           108           109           110 
      1  -0.101522D+02 -0.687667D+01  0.146157D+02  0.323445D+01  0.222023D+02
      2   0.407990D+01  0.584289D+01 -0.179951D+02 -0.534887D+01 -0.139194D+02
      3   0.607227D+01  0.103377D+01  0.337938D+01  0.211442D+01 -0.828293D+01
      4  -0.107408D+02  0.625285D+00 -0.776609D+00  0.184009D+02  0.264397D+01
      5   0.346819D+02  0.275033D+00  0.499988D+01  0.282401D+00  0.407040D+01
      6   0.191509D+00  0.433294D+01 -0.290603D+01  0.230620D+01 -0.323815D+01
               111           112           113           114           115 
      1   0.469725D+01 -0.241561D+02  0.753045D+01  0.879219D+00 -0.698868D+01
      2  -0.791757D+00  0.224415D+02 -0.114185D+02 -0.908164D+00  0.784516D+01
      3  -0.390549D+01  0.171456D+01  0.388802D+01  0.289450D-01 -0.856489D+00
      4   0.450293D+01  0.637118D+01  0.111326D+02  0.752208D+01  0.267299D+01
      5   0.484995D+01 -0.349353D+01  0.665152D+01 -0.810143D+01  0.173766D+02
      6  -0.479204D+01  0.585584D+01 -0.500089D+01  0.465899D+01 -0.779073D+01
               116           117           118           119           120 
      1   0.628398D+01  0.717243D+00  0.575621D+01 -0.132209D+02 -0.471735D-01
      2  -0.832082D+01 -0.617903D+01 -0.510196D+01  0.113238D+02 -0.503565D+00
      3   0.203684D+01  0.546178D+01 -0.654243D+00  0.189710D+01  0.550738D+00
      4   0.697941D+01 -0.150784D+02 -0.117238D+02 -0.174288D+02 -0.396968D+01
      5  -0.153504D+02 -0.635352D+01 -0.367466D+00 -0.385561D+01 -0.312903D+01
      6   0.131062D+02 -0.160907D+01 -0.297129D+01 -0.165196D+01  0.335814D+01
               121           122           123           124           125 
      1   0.131796D+01  0.764712D+01  0.475960D+01  0.154291D+01  0.178221D+01
      2  -0.883302D+01 -0.104676D+02 -0.580071D+01 -0.424297D+01 -0.706352D+01
      3   0.751506D+01  0.282046D+01  0.104111D+01  0.270006D+01  0.528131D+01
      4   0.114734D+02 -0.123355D+02 -0.144527D+01  0.722566D-01 -0.449004D+01
      5   0.511008D+00 -0.166535D+01 -0.109995D+01  0.156723D+00 -0.469560D+01
      6  -0.460232D+01 -0.883347D+01  0.262702D+01  0.382387D+01  0.126429D+02
               126           127           128           129           130 
      1  -0.153491D+02 -0.276131D+01  0.736712D+01 -0.198383D+00  0.840166D+01
      2   0.880536D+00  0.574211D+01 -0.105228D+02  0.931373D-01 -0.114226D+02
      3   0.144686D+02 -0.298081D+01  0.315571D+01  0.105246D+00  0.302092D+01
      4  -0.584676D+01 -0.955129D+01  0.769098D+01  0.800749D+00  0.683538D+01
      5  -0.542800D+01 -0.896555D+00  0.736834D+00  0.738153D+00  0.759763D+00
      6   0.535062D+01  0.408611D+00  0.684475D-01 -0.184846D+01 -0.901462D+00
               131           132           133           134           135 
      1  -0.245552D+02 -0.190780D+01  0.483763D-01 -0.164801D+01 -0.598704D+00
      2   0.335879D+02  0.154151D+01 -0.345818D+00  0.231983D+01  0.110124D+01
      3  -0.903269D+01  0.366288D+00  0.297441D+00 -0.671814D+00 -0.502536D+00
      4  -0.685630D+01 -0.451854D+00 -0.564207D-01  0.209924D+00 -0.132150D+01
      5  -0.987978D+00 -0.854417D+00  0.513614D+00 -0.741151D+00  0.267239D-01
      6   0.232874D+01  0.540499D+01 -0.319265D+00  0.142809D+01  0.422845D+00
               136           137           138           139           140 
      1   0.837545D+01  0.646584D+01  0.123459D+01  0.137340D+01 -0.975099D+01
      2   0.175976D+01  0.430885D+01 -0.509374D-01  0.100397D+02  0.304276D+02
      3  -0.101352D+02 -0.107747D+02 -0.118365D+01 -0.114131D+02 -0.206766D+02
      4   0.217838D+02  0.248229D+02  0.513539D+01  0.265210D+02  0.461864D+02
      5   0.475698D+01  0.499349D+01  0.525434D+01  0.495789D+01  0.789682D+01
      6   0.344706D+01  0.388893D+01  0.332692D+01  0.482252D+01  0.101663D+02
               141           142           143           144           145 
      1  -0.206498D+01  0.111343D+01 -0.112931D+01 -0.126162D+01  0.972320D+02
      2   0.361612D+01  0.131126D+01  0.463435D+01  0.201454D+01 -0.559245D+02
      3  -0.155114D+01 -0.242469D+01 -0.350505D+01 -0.752921D+00 -0.413075D+02
      4   0.825898D+01  0.639269D+01  0.974245D+01  0.333209D+01  0.346756D+01
      5   0.628462D+01  0.222164D+01  0.278895D+01  0.204749D+01  0.121937D+02
      6   0.823422D+01  0.203766D+01  0.432621D+01  0.266534D+01 -0.194451D+01
               146           147           148           149           150 
      1   0.276762D+01  0.801493D+01  0.156029D+01  0.904165D+01  0.126829D+01
      2  -0.137055D+01 -0.563847D+01 -0.749659D+00 -0.450944D+01 -0.111089D+01
      3  -0.139707D+01 -0.237646D+01 -0.810633D+00 -0.453221D+01 -0.157404D+00
      4   0.858297D+01 -0.503936D-01  0.142433D+02  0.112523D+01  0.135759D+01
      5   0.224386D-01  0.115020D+02  0.243448D+01  0.144371D+01  0.658576D+00
      6   0.567770D+00  0.159037D-01  0.103320D+01 -0.183557D+00  0.150844D+01
               151           152           153           154           155 
      1   0.112651D+02  0.148553D+01  0.366307D+01  0.150678D+02 -0.100534D+02
      2  -0.673266D+01 -0.945125D+00 -0.253043D+01 -0.562634D+00 -0.340570D+01
      3  -0.453239D+01 -0.540406D+00 -0.113264D+01 -0.145052D+02  0.134591D+02
      4   0.252977D+01  0.116704D+01  0.559276D+00 -0.280073D+02  0.285829D+02
      5   0.398809D+01  0.391475D+00  0.237796D+01 -0.335013D+01  0.246050D+01
      6   0.535820D-01  0.771058D+00  0.308413D+00  0.107047D+01 -0.887157D+00
               156           157           158           159           160 
      1  -0.130445D+01 -0.564759D+01 -0.169189D+01  0.117306D+00  0.411355D+00
      2   0.358141D+00 -0.853874D+01  0.229815D+02  0.995991D+00 -0.141984D+01
      3   0.946304D+00  0.141863D+02 -0.212896D+02 -0.111330D+01  0.100848D+01
      4   0.230284D+01  0.312268D+02 -0.461074D+02 -0.509263D+01  0.291843D+01
      5   0.507682D+01  0.436780D+01 -0.566476D+01 -0.576035D+01  0.167864D+01
      6  -0.295401D+01 -0.271093D+01  0.417430D+01  0.627715D+01 -0.137721D+01
               161           162           163           164           165 
      1  -0.100166D+01 -0.813648D+00 -0.519276D+01 -0.742681D+01 -0.273725D+01
      2   0.267815D+01  0.136216D+01  0.636412D+01  0.882119D+01  0.175709D+01
      3  -0.167649D+01 -0.548513D+00 -0.117136D+01 -0.139438D+01  0.980154D+00
      4  -0.482648D+01 -0.251552D+01  0.505904D+01  0.690542D+01  0.130119D+01
      5  -0.168277D+01 -0.848992D+00  0.721495D+00  0.881336D+00  0.138244D+01
      6   0.263869D+01  0.131669D+01  0.276696D+01  0.410440D+01  0.274201D+01
               166           167           168           169           170 
      1  -0.783173D+01 -0.276715D+02 -0.713989D+01 -0.201619D+01 -0.646621D+01
      2   0.996351D+01  0.356059D+02  0.625057D+01  0.237721D+01  0.738417D+01
      3  -0.213177D+01 -0.793442D+01  0.889321D+00 -0.361017D+00 -0.917962D+00
      4   0.605539D+01  0.242727D+01  0.882834D-01  0.159983D+01  0.108878D+01
      5   0.702351D+00 -0.507030D+00  0.249438D+00  0.113067D+01  0.694204D+00
      6   0.334253D+01  0.114048D+02  0.816856D+01  0.116758D+01  0.423031D+01
               171 
      1  -0.265743D+01
      2   0.260872D+01
      3   0.487091D-01
      4   0.182758D+01
      5   0.991997D+00
      6   0.312937D+01
 Leave Link  716 at Fri Aug 13 11:08:12 2021, MaxMem=  5368709120 cpu:               0.6 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.125821D+03  0.134265D+01  0.212323D+01
      2   0.134265D+01  0.104939D+03  0.534314D+01
      3   0.212323D+01  0.534314D+01  0.691555D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.646674D+00  0.534606D+00  0.690991D+01
      2   0.963226D+01  0.881400D+01 -0.137875D+01
      3  -0.652374D+01 -0.398476D+02 -0.840240D+01
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.955967D+02  0.522729D+01  0.806941D+01
      2  -0.420952D+02 -0.135060D+02 -0.125744D+02
      3  -0.535015D+02  0.827868D+01  0.450504D+01
      4  -0.261154D+02  0.708397D+02  0.209443D+02
      5   0.268960D+02  0.224398D+02 -0.706501D+01
      6   0.839642D+01  0.977105D+01 -0.146943D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    57 ND12= 1 LenFil=    2055:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.241566D+01  0.220578D+01 -0.781570D+00  0.129635D+01 -0.226798D+01
      2   0.220578D+01 -0.136549D+01  0.949420D+00 -0.226798D+01  0.266364D+01
      3  -0.781570D+00  0.949420D+00 -0.815522D-01  0.120993D+01 -0.228680D+01
                 6             7             8             9            10 
      1   0.120993D+01 -0.179591D+01  0.141501D+01 -0.470855D+00  0.411864D+01
      2  -0.228680D+01  0.141501D+01 -0.277517D+01 -0.704715D+00  0.163977D+01
      3  -0.146179D+01 -0.470855D+00 -0.704715D+00 -0.459886D+01  0.612005D-01
                11            12            13            14            15 
      1   0.163977D+01  0.612005D-01  0.577929D+01  0.382698D+01 -0.121910D+01
      2   0.190243D+01 -0.983916D+00  0.382698D+01 -0.179270D+00  0.635620D+00
      3  -0.983916D+00  0.115963D+01 -0.121910D+01  0.635620D+00  0.393807D+01
                16            17            18            19            20 
      1  -0.154609D+00 -0.141731D+01  0.380265D+01 -0.604359D+00  0.461443D+00
      2  -0.141731D+01 -0.323641D+00  0.316301D+01  0.461443D+00 -0.495323D+00
      3   0.380265D+01  0.316301D+01  0.483954D+01  0.346984D+00 -0.207510D+00
                21            22            23            24            25 
      1   0.346984D+00  0.112015D+01 -0.817591D+00 -0.470536D+00  0.194250D+01
      2  -0.207510D+00 -0.817591D+00  0.222856D+01  0.110730D+01 -0.110892D+01
      3  -0.449258D+00 -0.470536D+00  0.110730D+01  0.163772D+01 -0.123552D+01
                26            27            28            29            30 
      1  -0.110892D+01 -0.123552D+01 -0.202488D+01 -0.717334D+00 -0.163315D+01
      2   0.275456D+01  0.214560D+01 -0.717334D+00 -0.637413D+00 -0.197111D+00
      3   0.214560D+01  0.428555D+01 -0.163315D+01 -0.197111D+00 -0.141172D+01
                31            32            33            34            35 
      1  -0.258101D+01 -0.157750D+01 -0.578083D+00 -0.406285D+01 -0.548459D+00
      2  -0.157750D+01 -0.118354D+01 -0.139219D+01 -0.548459D+00 -0.150953D+01
      3  -0.578083D+00 -0.139219D+01 -0.221058D+01 -0.280890D+01 -0.175437D+01
                36            37            38            39            40 
      1  -0.280890D+01  0.778687D+01  0.747409D+00  0.155935D+01 -0.249391D+01
      2  -0.175437D+01  0.747409D+00 -0.273672D+01  0.780405D+00 -0.342744D+01
      3  -0.727118D+01  0.155935D+01  0.780405D+00 -0.161580D+01  0.146449D+01
                41            42            43            44            45 
      1  -0.342744D+01  0.146449D+01  0.482440D+01  0.205472D+01 -0.198339D+01
      2   0.290251D+01  0.454553D+00  0.205472D+01  0.856803D+00 -0.288180D+01
      3   0.454553D+00 -0.304805D+01 -0.198339D+01 -0.288180D+01 -0.428390D+01
                46            47            48            49            50 
      1  -0.163909D+02 -0.242252D+01 -0.593669D+00 -0.306244D+01  0.197106D+01
      2  -0.242252D+01 -0.275780D+01 -0.158557D+00  0.197106D+01 -0.120981D+00
      3  -0.593669D+00 -0.158557D+00 -0.163646D+01  0.101281D+01  0.484249D-01
                51            52            53            54            55 
      1   0.101281D+01 -0.616041D+00  0.958987D+00 -0.377100D+01 -0.363980D+00
      2   0.484249D-01  0.958987D+00  0.723068D-02 -0.587970D+00  0.180928D+00
      3  -0.286815D+00 -0.377100D+01 -0.587970D+00 -0.152398D+01  0.579647D+00
                56            57            58            59            60 
      1   0.180928D+00  0.579647D+00  0.103120D+01  0.211423D+00 -0.508649D+00
      2   0.600960D+00 -0.106697D+00  0.211423D+00  0.550557D+00  0.993653D+00
      3  -0.106697D+00  0.106656D+01 -0.508649D+00  0.993653D+00  0.219538D+01
                61            62            63            64            65 
      1   0.123661D+01  0.592036D-01 -0.664303D+00  0.574028D+00 -0.819610D+00
      2   0.592036D-01  0.142545D+01  0.682805D+00 -0.819610D+00  0.163908D+01
      3  -0.664303D+00  0.682805D+00  0.710867D+01 -0.272014D+00 -0.357216D+00
                66            67            68            69            70 
      1  -0.272014D+00 -0.183515D+01  0.450240D+00  0.111198D+00 -0.586358D+00
      2  -0.357216D+00  0.450240D+00 -0.720230D+01  0.632674D+00 -0.280927D+00
      3   0.645927D+00  0.111198D+00  0.632674D+00 -0.109463D+01  0.234673D+00
                71            72            73            74            75 
      1  -0.280927D+00  0.234673D+00 -0.130985D+02 -0.220632D+01  0.106467D+00
      2   0.244018D+00 -0.656170D+00 -0.220632D+01 -0.142643D+01  0.146098D+00
      3  -0.656170D+00  0.563969D+00  0.106467D+00  0.146098D+00 -0.128189D+01
                76            77            78            79            80 
      1  -0.585135D+00 -0.110432D+01 -0.194400D+00 -0.212946D+01 -0.457425D+00
      2  -0.110432D+01 -0.825046D+00 -0.760054D-01 -0.457425D+00 -0.546093D+00
      3  -0.194400D+00 -0.760054D-01  0.250977D+00 -0.100044D+01  0.814144D-01
                81            82            83            84            85 
      1  -0.100044D+01  0.484205D+01 -0.923476D+00  0.235439D+00  0.780523D+01
      2   0.814144D-01 -0.923476D+00 -0.310202D+01 -0.899133D+00 -0.469711D-01
      3  -0.783682D-01  0.235439D+00 -0.899133D+00 -0.154890D+01  0.102428D+00
                86            87            88            89            90 
      1  -0.469711D-01  0.102428D+00  0.253967D+01 -0.398307D+00 -0.175402D+01
      2   0.168430D+01 -0.487220D+00 -0.398307D+00 -0.125004D+01  0.366103D+01
      3  -0.487220D+00  0.166970D+01 -0.175402D+01  0.366103D+01  0.961278D+00
                91            92            93            94            95 
      1  -0.331779D+01 -0.685802D-01 -0.488650D+00  0.491034D+01 -0.248067D-01
      2  -0.685802D-01  0.278019D+01 -0.303671D+00 -0.248067D-01  0.129758D+01
      3  -0.488650D+00 -0.303671D+00  0.832837D+00 -0.139310D+00 -0.671314D+00
                96            97            98            99           100 
      1  -0.139310D+00  0.241951D+00 -0.852796D+00  0.212917D+01  0.582737D+01
      2  -0.671314D+00 -0.852796D+00 -0.602927D+00  0.370241D+01  0.281561D+00
      3   0.153710D+01  0.212917D+01  0.370241D+01  0.218263D+01 -0.553064D+00
               101           102           103           104           105 
      1   0.281561D+00 -0.553064D+00  0.841847D+00 -0.595290D+00 -0.108449D+01
      2   0.314419D+01  0.148972D+00 -0.595290D+00 -0.559478D-01 -0.353359D+00
      3   0.148972D+00  0.215871D+01 -0.108449D+01 -0.353359D+00 -0.121629D+00
               106           107           108           109           110 
      1  -0.543662D+00 -0.107571D+01  0.519796D+01 -0.241872D+01 -0.254247D+00
      2  -0.107571D+01  0.158864D+00  0.802013D-01 -0.254247D+00  0.252196D+01
      3   0.519796D+01  0.802013D-01  0.115720D+01 -0.455802D+00  0.839918D+00
               111           112           113           114           115 
      1  -0.455802D+00 -0.543122D+01 -0.340160D+00 -0.836202D+00 -0.178800D+01
      2   0.839918D+00 -0.340160D+00 -0.107976D+01  0.846640D+00 -0.171764D+00
      3   0.139974D+01 -0.836202D+00  0.846640D+00 -0.163634D+01  0.277012D+01
               116           117           118           119           120 
      1  -0.171764D+00  0.277012D+01  0.385419D+01  0.174749D+01  0.508141D+00
      2   0.152012D+01 -0.332456D+01  0.174749D+01 -0.277088D+01  0.669537D-01
      3  -0.332456D+01 -0.911849D+00  0.508141D+00  0.669537D-01 -0.845843D+00
               121           122           123           124           125 
      1  -0.650451D+01 -0.972188D+00  0.181323D+00 -0.193275D+00  0.853508D+00
      2  -0.972188D+00 -0.154532D+01  0.858967D+00  0.853508D+00  0.448563D+00
      3   0.181323D+00  0.858967D+00 -0.130119D+01 -0.988547D+00 -0.336980D+01
               126           127           128           129           130 
      1  -0.988547D+00 -0.387725D+01  0.221804D+01  0.166875D+00  0.202382D+01
      2  -0.336980D+01  0.221804D+01 -0.252616D+01 -0.522812D-01 -0.267772D+01
      3  -0.230242D+01  0.166875D+00 -0.522812D-01 -0.214380D+00 -0.203124D+00
               131           132           133           134           135 
      1  -0.267772D+01 -0.203124D+00 -0.333244D+00  0.342294D-01  0.142411D+00
      2   0.689917D+01  0.441038D+00  0.342294D-01  0.432804D+00  0.363979D-01
      3   0.441038D+00  0.795525D+00  0.142411D+00  0.363979D-01 -0.183897D-01
               136           137           138           139           140 
      1   0.280213D+01  0.288720D+01  0.709435D+00  0.266507D+01  0.394151D+01
      2   0.288720D+01  0.309222D+01  0.711161D+00  0.394151D+01  0.847210D+01
      3   0.709435D+00  0.711161D+00  0.620638D+00  0.787312D+00  0.157529D+01
               141           142           143           144           145 
      1   0.787312D+00  0.706782D+00  0.951072D+00  0.268101D+00  0.127823D+02
      2   0.157529D+01  0.951072D+00  0.174465D+01  0.390294D+00  0.370540D+00
      3   0.120020D+01  0.268101D+00  0.390294D+00  0.251631D+00  0.127547D+01
               146           147           148           149           150 
      1   0.370540D+00  0.127547D+01  0.262404D+00  0.152359D+01  0.307012D+00
      2   0.801048D+00  0.491506D-02  0.152359D+01  0.146271D+00  0.165034D+00
      3   0.491506D-02  0.110751D+01  0.307012D+00  0.165034D+00  0.878372D-01
               151           152           153           154           155 
      1   0.159361D+01  0.330373D+00  0.159467D+00  0.390212D+01 -0.343048D+01
      2   0.330373D+00  0.958215D-01  0.227096D-01 -0.343048D+01  0.343677D+01
      3   0.159467D+00  0.227096D-01  0.195049D+00 -0.311414D+00  0.239223D+00
               156           157           158           159           160 
      1  -0.311414D+00 -0.330236D+01  0.429723D+01  0.588522D+00 -0.203492D+00
      2   0.239223D+00  0.429723D+01 -0.739548D+01 -0.824985D+00  0.405825D+00
      3   0.538781D+00  0.588522D+00 -0.824985D+00 -0.926685D+00  0.736723D-01
               161           162           163           164           165 
      1   0.405825D+00  0.736723D-01 -0.197759D+01 -0.189760D+01 -0.459674D+00
      2  -0.928375D+00 -0.211274D+00 -0.189760D+01 -0.210059D+01 -0.620974D+00
      3  -0.211274D+00 -0.151070D+00 -0.459674D+00 -0.620974D+00 -0.444538D+00
               166           167           168           169           170 
      1  -0.193998D+01 -0.237007D+01 -0.531128D+00 -0.678616D+00 -0.751306D+00
      2  -0.237007D+01 -0.725703D+01 -0.166733D+01 -0.751306D+00 -0.175311D+01
      3  -0.531128D+00 -0.166733D+01 -0.122478D+01 -0.101241D+00 -0.475227D+00
               171 
      1  -0.101241D+00
      2  -0.475227D+00
      3  -0.405516D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.137899D+00 -0.116952D+00  0.725968D+00  0.186303D+00 -0.146948D+00
      2  -0.375336D+00 -0.131228D+00  0.434508D+01 -0.910193D+00  0.402639D+01
      3   0.460941D+01 -0.883043D+01  0.656430D+00  0.182191D+01  0.737593D+01
                 6             7             8             9            10 
      1  -0.952250D+00 -0.403574D+01  0.628561D+01  0.807076D+01 -0.208213D+01
      2   0.280230D+01 -0.100228D+01  0.382824D+01  0.111897D+02  0.115074D+01
      3  -0.555496D+01 -0.143767D-01 -0.626343D+01 -0.243262D+01  0.668936D+01
                11            12            13            14            15 
      1  -0.210141D+00  0.830777D+00 -0.131913D+01 -0.112990D+00  0.482286D+00
      2   0.144553D+01 -0.850508D+00  0.396400D+01  0.927391D+00 -0.623010D+01
      3   0.191766D+01 -0.318066D+00  0.130817D+02 -0.676904D+01  0.129856D+01
                16            17            18            19            20 
      1   0.422498D+01  0.506732D+01 -0.740199D+00 -0.454336D+00  0.368990D+00
      2  -0.146971D+02 -0.684773D+01 -0.718123D+01 -0.203619D+01  0.698286D+00
      3  -0.638614D+00 -0.136414D+01  0.597541D+01  0.217217D+01 -0.404893D+00
                21            22            23            24            25 
      1   0.546241D+00  0.939201D+00 -0.283644D+01 -0.374255D+01  0.285161D+01
      2   0.116359D+01  0.839416D+00 -0.317993D+01 -0.438503D+01  0.849883D+00
      3   0.633333D-01  0.415243D+00  0.457267D+01  0.280071D+01  0.492801D-01
                26            27            28            29            30 
      1  -0.285904D+01 -0.879327D+01 -0.606279D+00  0.106410D+01 -0.589428D+00
      2  -0.595741D+01 -0.111014D+02  0.150524D+01  0.319254D+00  0.271330D+01
      3   0.687003D+01  0.510591D+01 -0.157710D+01 -0.322979D+01 -0.229999D+00
                31            32            33            34            35 
      1   0.109484D+01  0.709675D+00 -0.887422D+00 -0.105526D+01  0.222721D+01
      2  -0.374315D+00  0.131396D+01  0.405979D+01  0.137710D+01  0.275494D+01
      3  -0.190167D+01 -0.137332D+01 -0.293859D+01 -0.424837D-01 -0.301087D+01
                36            37            38            39            40 
      1  -0.128903D+01  0.375216D+01 -0.202323D+01 -0.230710D+01  0.586754D+00
      2   0.118662D+02 -0.109022D+02 -0.365047D+01  0.623097D+01 -0.538177D+01
      3  -0.352892D+01 -0.764760D+01 -0.128332D+02 -0.535652D-02 -0.768774D+01
                41            42            43            44            45 
      1   0.629671D+01 -0.648590D+01 -0.122943D+01 -0.255028D+01 -0.657236D+01
      2  -0.422418D-01  0.720708D+01  0.166665D+01  0.702772D+01  0.119818D+02
      3   0.153647D+02 -0.603726D-01  0.170516D+01 -0.726659D+00 -0.635868D+01
                46            47            48            49            50 
      1   0.850917D+00 -0.895346D+00 -0.416520D+00 -0.321970D+01 -0.162703D+01
      2   0.332984D-01 -0.171910D+01 -0.131647D+01 -0.156293D+01  0.483842D+00
      3  -0.734109D+01  0.601185D+01  0.663400D+00  0.153286D+02 -0.248627D+00
                51            52            53            54            55 
      1   0.713141D+00  0.985783D+00  0.101283D+02  0.240726D+01  0.985075D+00
      2   0.929269D+00 -0.121484D+02  0.528211D+00  0.137126D+00 -0.193801D+01
      3   0.189522D+00 -0.386978D+00  0.244277D+01 -0.971892D+00  0.967420D+00
                56            57            58            59            60 
      1   0.105866D+01  0.859614D+00  0.156850D+00  0.242726D+01  0.201732D+01
      2  -0.451646D-01 -0.236649D+01 -0.233857D+00 -0.271041D+01 -0.535269D+01
      3   0.111694D+01 -0.762634D+00  0.122798D+01  0.117149D+01  0.270221D+01
                61            62            63            64            65 
      1  -0.443907D+00  0.505634D+01  0.916363D+01 -0.173078D+01  0.142867D+01
      2  -0.244116D+01 -0.243222D+01 -0.175745D+02 -0.309340D+00  0.117084D+01
      3  -0.108373D+01  0.391369D+01  0.262224D+01 -0.597461D+01  0.568909D+01
                66            67            68            69            70 
      1   0.161057D+01  0.129791D+01 -0.529856D+01 -0.305240D+01  0.658923D+00
      2  -0.897766D+00  0.126398D+01 -0.239847D+01  0.209450D+01 -0.149578D+01
      3   0.130345D+00  0.784381D+01 -0.198790D+02  0.123525D+01  0.818793D+00
                71            72            73            74            75 
      1   0.447282D+00  0.213929D+00 -0.496338D+00 -0.883748D+00 -0.185071D+01
      2   0.125020D+01 -0.125506D+01  0.712149D+01  0.749881D+00  0.640432D+01
      3   0.607130D+00 -0.228250D+01  0.870981D+01 -0.487271D+01  0.443699D+00
                76            77            78            79            80 
      1  -0.670233D+00 -0.617247D+00 -0.390684D+00 -0.122320D+01  0.684201D+00
      2   0.113449D+01  0.570210D+00 -0.443406D+00  0.217766D+01 -0.407311D+00
      3  -0.658869D+00 -0.176208D+01 -0.209672D+00  0.281135D+00 -0.995861D+00
                81            82            83            84            85 
      1  -0.124259D-01 -0.114935D+01  0.728122D-01  0.195720D+01 -0.998467D+00
      2   0.770203D+00  0.246941D+01 -0.840062D-01 -0.542477D+00  0.315788D+01
      3   0.159798D+01  0.777622D+01 -0.123303D+01  0.151723D+01  0.646779D+01
                86            87            88            89            90 
      1  -0.955287D-01 -0.224959D+01  0.565190D+01  0.250029D+01  0.291665D-01
      2   0.109088D+01  0.963147D+00 -0.126185D+02  0.378773D+00 -0.538961D+00
      3  -0.570682D+01  0.432318D+00  0.190665D+01 -0.117497D+01 -0.543846D+01
                91            92            93            94            95 
      1   0.119820D+01  0.634540D+00 -0.123627D+01  0.932316D+00 -0.635295D-01
      2   0.156573D-01  0.116815D+01  0.633929D+00  0.101384D+01 -0.257114D+01
      3  -0.376235D+01 -0.103313D+02 -0.182867D+01  0.492951D+01 -0.210950D+01
                96            97            98            99           100 
      1  -0.211224D+01 -0.555644D+01  0.155613D+01 -0.786885D+00  0.101383D+00
      2   0.407087D+01 -0.719891D+01  0.958570D+01  0.359536D+01 -0.141847D+00
      3   0.152457D+01 -0.469062D+00  0.174424D+01 -0.505934D+01  0.646022D+00
               101           102           103           104           105 
      1  -0.101159D+01 -0.431536D+00 -0.119921D+01 -0.254951D+01  0.107861D+01
      2   0.462887D-01  0.609079D+01 -0.345400D+01  0.486508D-01 -0.483208D+00
      3  -0.657421D+01 -0.111127D+00  0.116059D+02  0.349859D+01  0.171520D+01
               106           107           108           109           110 
      1  -0.916219D+00  0.113777D+02  0.185771D+01 -0.107758D+01  0.521553D-01
      2   0.778462D+01  0.528205D+00  0.175260D+01 -0.519242D+00  0.233620D+01
      3   0.355249D+01  0.104929D+01  0.931690D+00 -0.133283D+01 -0.132438D+02
               111           112           113           114           115 
      1   0.188482D+01 -0.147549D+01  0.333136D+00 -0.185042D+01  0.669894D+01
      2   0.218980D+01 -0.826371D+00  0.268075D+01 -0.393471D+01 -0.527641D+01
      3  -0.217884D+01  0.403963D+01 -0.140288D+01 -0.177168D+01 -0.429558D+00
               116           117           118           119           120 
      1   0.251002D+01  0.158391D+01  0.259395D+00  0.871007D+00 -0.145693D+01
      2  -0.101949D+02 -0.256599D+01  0.317670D+01  0.144903D+01 -0.464707D+00
      3  -0.400515D+01  0.386666D+01  0.163641D+00 -0.166489D+01 -0.183866D+01
               121           122           123           124           125 
      1   0.145839D+01 -0.722823D+00 -0.215528D+01 -0.567414D+01  0.230118D+01
      2   0.124546D+01 -0.142259D+01 -0.150524D+01 -0.131849D+02 -0.103110D+01
      3   0.873613D+00  0.791671D+01  0.250227D+00 -0.406575D+01 -0.385054D+00
               126           127           128           129           130 
      1  -0.128318D+01  0.231254D+00 -0.518347D+00  0.157286D+01  0.243967D+00
      2  -0.322014D+01  0.768015D+00 -0.428200D+00  0.183962D+00 -0.477276D+00
      3   0.587481D+01 -0.120131D+02  0.441582D+01  0.480219D+00  0.652733D+01
               131           132           133           134           135 
      1  -0.186733D-01 -0.331392D+01 -0.650729D+00  0.180460D+01  0.902077D-01
      2   0.892903D+00 -0.763369D+00 -0.145502D+01  0.388745D+00 -0.100270D+00
      3  -0.628139D+01 -0.685088D+00 -0.684727D+00  0.359987D+00  0.281780D+00
               136           137           138           139           140 
      1  -0.228155D+00 -0.159649D-01 -0.194609D+01 -0.800651D-01  0.540062D+00
      2   0.509703D+00  0.834253D+00  0.210609D+01  0.595283D+00  0.249949D+01
      3  -0.947261D+00 -0.307945D+01 -0.519183D+00 -0.187504D+01 -0.127566D+02
               141           142           143           144           145 
      1  -0.403980D+01  0.630285D+00  0.179531D+01 -0.482977D+00 -0.827310D-01
      2   0.350903D+01 -0.449558D+00 -0.195946D+00  0.629877D+00  0.178446D+01
      3  -0.218263D+01 -0.444606D+00 -0.252177D+01 -0.305542D+00  0.155657D+00
               146           147           148           149           150 
      1   0.450096D+00 -0.214417D+00  0.223656D+00 -0.881858D-02 -0.295965D+00
      2  -0.131279D+00  0.643708D+01  0.119980D+01  0.326015D+00  0.391201D+00
      3  -0.523999D+01  0.217708D+00 -0.376992D+01 -0.297465D+00 -0.406239D+00
               151           152           153           154           155 
      1   0.615208D-01  0.472593D+00 -0.259130D-01  0.257587D+00 -0.597186D+00
      2  -0.235795D+01  0.885127D-01  0.673060D+00  0.286507D+00 -0.346415D+00
      3  -0.114477D+01 -0.587260D+00 -0.277353D+00  0.105284D+01 -0.424705D+01
               156           157           158           159           160 
      1   0.208013D+01  0.235122D+00  0.203992D+00 -0.365463D+01 -0.836503D+00
      2   0.236230D+01  0.410823D+00 -0.913294D+00 -0.329170D+01 -0.642689D+00
      3  -0.263049D-01 -0.280464D+01  0.117535D+02  0.957021D+00 -0.676263D+00
               161           162           163           164           165 
      1   0.147538D+01 -0.278388D+00  0.409598D+00  0.271480D+00 -0.161918D+01
      2   0.575408D+00 -0.274632D+00 -0.153601D+01 -0.101041D+01  0.155233D+00
      3   0.183099D+01  0.301652D+00  0.698135D+01  0.416568D+01  0.974323D+00
               166           167           168           169           170 
      1   0.543932D+00  0.915823D+00 -0.368632D+01  0.529721D+00  0.218768D+01
      2  -0.160427D+01 -0.162241D+01  0.362260D+00 -0.180383D+01 -0.541441D+00
      3   0.745147D+01  0.760652D+01  0.176728D+01  0.176741D+01  0.221705D+01
               171 
      1  -0.479781D+00
      2   0.152704D+00
      3   0.971887D-01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.191008D+02 -0.424724D+01  0.304921D+01 -0.768594D+01  0.217521D+01
      2  -0.761821D+01 -0.125496D+01 -0.144166D+01 -0.237802D+00  0.898134D+01
      3  -0.114825D+02  0.550221D+01 -0.160755D+01  0.792374D+01 -0.111566D+02
      4  -0.144762D+02  0.174164D+02 -0.554671D+01  0.217034D+02 -0.196018D+02
      5   0.518827D+01 -0.467538D+01  0.792722D+01 -0.817652D+01  0.113584D+02
      6  -0.315161D+01  0.187165D+01 -0.274801D+01  0.343720D+01 -0.854369D+01
                 6             7             8             9            10 
      1   0.621507D+00  0.347764D+01  0.189808D+01  0.168209D+01  0.812357D+01
      2  -0.277927D+01 -0.215540D+01 -0.425278D+01 -0.709750D+01 -0.264048D+01
      3   0.215776D+01 -0.132224D+01  0.235471D+01  0.541542D+01 -0.548309D+01
      4   0.114137D+02 -0.943084D+01  0.139469D+02  0.326081D+01 -0.609384D+01
      5   0.405260D+01  0.704083D+01  0.293079D+01  0.227227D+02  0.195660D-01
      6   0.398139D+01  0.728122D+00  0.189280D+00 -0.131569D+02  0.133560D+01
                11            12            13            14            15 
      1   0.127231D+01 -0.114118D+01  0.390711D+01 -0.733919D+01  0.393459D+01
      2   0.155043D+01  0.652472D+00  0.346780D+01  0.313333D+01 -0.252371D+00
      3  -0.282275D+01  0.488707D+00 -0.737491D+01  0.420586D+01 -0.368222D+01
      4  -0.154591D+02  0.402636D+01 -0.259908D+02  0.492498D+01 -0.242690D+01
      5   0.434339D+01 -0.104162D+02  0.890210D+01 -0.257412D+01 -0.148212D+02
      6   0.203477D+01 -0.177972D+01  0.120314D+01  0.463482D+01 -0.873856D+01
                16            17            18            19            20 
      1   0.113089D+02  0.416518D+01 -0.245735D+00  0.311362D+01 -0.323607D+01
      2   0.128976D+01  0.287980D+01  0.822867D+01 -0.149599D+01  0.106936D+01
      3  -0.125987D+02 -0.704498D+01 -0.798294D+01 -0.161763D+01  0.216671D+01
      4   0.991099D+01  0.332850D+01 -0.164824D+02 -0.414025D+01  0.250677D+01
      5  -0.195702D+02 -0.151845D+02 -0.197308D+02 -0.224838D+01  0.159322D+01
      6  -0.987213D+01 -0.403689D+01 -0.436931D+01  0.138821D+01 -0.403303D-01
                21            22            23            24            25 
      1  -0.253571D+01 -0.368801D+01 -0.293661D+01 -0.127854D+01 -0.490625D+01
      2   0.666064D+00  0.408512D+00  0.553100D+01  0.295484D+01  0.213880D+01
      3   0.186964D+01  0.327949D+01 -0.259439D+01 -0.167630D+01  0.276745D+01
      4   0.223917D+01  0.581048D+01 -0.103220D+02 -0.576012D+01  0.778217D+01
      5   0.256150D+01  0.258380D+01 -0.532302D+01 -0.764006D+01  0.701971D+01
      6  -0.712405D+00 -0.158395D+01  0.445325D+01  0.670437D+01 -0.382213D+01
                26            27            28            29            30 
      1  -0.110058D+01 -0.270728D+01  0.436265D+01  0.115601D+01  0.392215D+01
      2   0.335626D+01  0.193531D+01 -0.587433D+01 -0.115791D+01 -0.438054D+01
      3  -0.225568D+01  0.771969D+00  0.151168D+01  0.189775D-02  0.458387D+00
      4  -0.133970D+02 -0.106912D+02  0.429469D+01  0.611656D+01  0.202422D+01
      5  -0.102441D+02 -0.202001D+02  0.940279D+01  0.201916D+01  0.116912D+02
      6   0.840897D+01  0.127146D+02  0.251700D+01  0.255506D+00  0.163615D+01
                31            32            33            34            35 
      1   0.124618D+01 -0.199419D+01 -0.321976D+01  0.274482D+01 -0.287015D+01
      2  -0.248240D+01 -0.352615D+00 -0.592389D+00 -0.818613D+01 -0.212444D+01
      3   0.123622D+01  0.234681D+01  0.381215D+01  0.544131D+01  0.499459D+01
      4   0.943447D+01  0.554828D+01  0.634274D+01  0.340402D+01  0.685125D+01
      5   0.361846D+01  0.605957D+01  0.945470D+01  0.179149D+02  0.786259D+01
      6   0.245293D+01  0.471167D+01  0.858513D+01  0.483990D+01  0.643758D+01
                36            37            38            39            40 
      1  -0.101707D+02 -0.524178D+02 -0.147244D+02 -0.165485D+01 -0.715039D+01
      2  -0.136953D+02  0.220422D+02  0.139628D+02  0.389387D+01  0.638583D+01
      3   0.238660D+02  0.303756D+02  0.761544D+00 -0.223901D+01  0.764560D+00
      4   0.813064D+01 -0.159382D+02  0.117507D+02 -0.443472D+01  0.172717D+02
      5   0.309429D+02 -0.279993D+01 -0.208156D+01  0.974023D+01 -0.752181D+01
      6   0.102436D+02 -0.397130D+01 -0.562355D+01  0.370284D+01 -0.593485D+01
                41            42            43            44            45 
      1   0.199623D+02  0.193120D+01 -0.118082D+02 -0.226237D+00  0.116170D+02
      2  -0.215064D+02  0.580604D+01  0.579932D+01  0.369681D+01  0.776361D+01
      3   0.154415D+01 -0.773724D+01  0.600893D+01 -0.347057D+01 -0.193806D+02
      4  -0.730793D+01 -0.291400D+01 -0.145496D+02 -0.437248D+01  0.179562D+02
      5  -0.583520D+01  0.142297D+02  0.138594D+02  0.148484D+02  0.164282D+02
      6  -0.265039D+00  0.621929D+01  0.747487D+01  0.615769D+01 -0.153567D+01
                46            47            48            49            50 
      1  -0.191630D+02  0.360132D-01  0.581029D-01  0.161745D+01 -0.851601D+01
      2   0.600887D+01 -0.664864D+00 -0.222873D+00 -0.196539D+01  0.130411D+02
      3   0.131542D+02  0.628851D+00  0.164770D+00  0.347935D+00 -0.452507D+01
      4   0.113313D+02  0.465240D+01  0.468232D+00 -0.122377D+02 -0.225123D+01
      5  -0.807654D+00 -0.367192D-01  0.660162D+00 -0.340057D+01 -0.936249D+00
      6  -0.109545D+01  0.285488D+00  0.124261D+00 -0.251158D+01  0.266286D+01
                51            52            53            54            55 
      1  -0.203742D+00 -0.659992D+01 -0.111145D+01 -0.969870D+01  0.322403D+01
      2   0.387730D+01  0.130136D+01  0.165865D+01 -0.369671D+01 -0.373746D+01
      3  -0.367356D+01  0.529856D+01 -0.547204D+00  0.133954D+02  0.513430D+00
      4  -0.153951D+01 -0.328145D+01 -0.170155D+01  0.295341D+01  0.402955D+00
      5   0.169656D+01  0.309590D+01  0.215766D+01 -0.594472D-01 -0.219588D+01
      6  -0.167904D+01 -0.881305D+00  0.461636D+01 -0.372158D+01  0.143435D+00
                56            57            58            59            60 
      1   0.625729D+00 -0.587574D+01 -0.254334D+01 -0.457849D+01 -0.232625D+01
      2  -0.126242D+01  0.496839D+00  0.205673D+01  0.100652D+01 -0.539171D+01
      3   0.636694D+00  0.537890D+01  0.486604D+00  0.357197D+01  0.771797D+01
      4  -0.204873D+01 -0.396321D+00 -0.431128D+00 -0.361224D+01 -0.486744D+01
      5   0.940962D+00  0.954276D-01  0.417855D+01 -0.365322D+01 -0.979061D+01
      6   0.164156D+01 -0.987263D+00  0.862364D-01  0.230361D+01  0.329272D+01
                61            62            63            64            65 
      1  -0.594959D+01 -0.753731D+00 -0.159922D+02 -0.142590D+01  0.908933D+01
      2   0.461014D+01 -0.406304D+01 -0.169008D+02  0.406034D+01 -0.977471D+01
      3   0.133945D+01  0.481677D+01  0.328930D+02 -0.263444D+01  0.685381D+00
      4  -0.186951D+01 -0.730492D+01 -0.542723D+01  0.104590D+01 -0.273930D+01
      5   0.840140D+01 -0.308883D+01 -0.303470D+02  0.170567D+01 -0.311573D+00
      6   0.798281D+00  0.440807D+01 -0.684321D+01 -0.166259D+00  0.285710D+01
                66            67            68            69            70 
      1  -0.100501D+01  0.933940D+01 -0.241265D+02  0.231258D+01  0.153384D+01
      2  -0.984767D-01 -0.648894D+01  0.364808D+02 -0.130604D+01 -0.870904D+00
      3   0.110348D+01 -0.285046D+01 -0.123543D+02 -0.100655D+01 -0.662934D+00
      4   0.115653D+01  0.446209D+01  0.278955D+02 -0.254894D+01  0.208461D+01
      5  -0.201731D+01 -0.291488D+01 -0.458631D+00  0.412565D+01  0.152776D+00
      6  -0.265814D+01  0.574246D+00 -0.971838D+01  0.643586D+01 -0.138616D+01
                71            72            73            74            75 
      1   0.178366D+01 -0.516562D+01  0.819729D+02  0.102609D+02  0.201638D+01
      2  -0.510671D+00  0.267274D+01 -0.393235D+02 -0.220897D+01  0.680012D+00
      3  -0.127299D+01  0.249288D+01 -0.426495D+02 -0.805198D+01 -0.269639D+01
      4  -0.318528D+00  0.129295D+01  0.305979D+02  0.154493D+02 -0.225346D+00
      5   0.190581D+01 -0.185809D+01 -0.967843D+01 -0.191223D+01  0.109355D+02
      6   0.590951D+01 -0.102838D+01 -0.620122D+00 -0.158801D+01  0.344779D+01
                76            77            78            79            80 
      1   0.237454D+01  0.493265D+01  0.122706D+00  0.100900D+02  0.893831D+00
      2   0.125283D+01  0.374714D+00 -0.480185D+00 -0.407266D+01 -0.493628D-01
      3  -0.362737D+01 -0.530737D+01  0.357478D+00 -0.601739D+01 -0.844469D+00
      4   0.118617D+02  0.647697D+01  0.600963D+00  0.445492D+01  0.313231D+01
      5   0.407563D+00 -0.837136D-01 -0.693044D+00  0.928608D+01  0.164662D+00
      6  -0.669379D+00 -0.622986D+00  0.792504D+00  0.275611D+01  0.729735D+00
                81            82            83            84            85 
      1   0.587718D+01  0.423748D+01  0.156376D+02  0.491044D+01 -0.174218D+01
      2  -0.497109D+01 -0.479209D+01 -0.116857D+02 -0.198759D+01  0.104344D+02
      3  -0.906097D+00  0.554612D+00 -0.395200D+01 -0.292285D+01 -0.869219D+01
      4   0.104941D+01  0.861029D+01 -0.114393D+02  0.241460D-01  0.444445D+01
      5   0.787692D+00  0.210869D+01 -0.120083D+00 -0.512027D+00  0.189799D+01
      6   0.760872D+00  0.312040D+01 -0.361485D+01 -0.420641D+01  0.543240D+01
                86            87            88            89            90 
      1   0.348038D+01  0.242270D+01  0.104231D+01  0.443402D+01 -0.150518D+02
      2  -0.794919D+01 -0.185219D+01  0.216477D+01 -0.591135D+01  0.319699D+01
      3   0.446882D+01 -0.570512D+00 -0.320708D+01  0.147733D+01  0.118548D+02
      4   0.141729D+02  0.198630D+01  0.104498D+01 -0.176392D+01  0.271636D+01
      5   0.189552D+01  0.665738D+00  0.395927D+01  0.285356D+01 -0.168034D+01
      6  -0.318188D+01  0.545573D+01 -0.363032D+01  0.148265D+02  0.721269D+00
                91            92            93            94            95 
      1   0.313812D+01 -0.216442D+02 -0.233103D+01  0.244014D+02  0.107480D+02
      2  -0.330465D+01  0.148520D+02  0.127373D+01 -0.217357D+02 -0.135375D+02
      3   0.166528D+00  0.679221D+01  0.105730D+01 -0.266567D+01  0.278952D+01
      4  -0.123069D+02 -0.508379D+01 -0.528607D+01  0.708396D+01 -0.383720D+01
      5  -0.431503D+01 -0.488238D+01 -0.604904D+00 -0.981008D-02 -0.501357D+01
      6  -0.553868D+01 -0.176878D+01  0.327866D+01 -0.419752D+01 -0.826903D+01
                96            97            98            99           100 
      1   0.269933D+01  0.242684D+01 -0.310457D+01 -0.456334D+01 -0.821747D+01
      2  -0.519535D+01 -0.630679D+01 -0.477189D+01 -0.480222D+01  0.586684D+01
      3   0.249602D+01  0.387995D+01  0.787646D+01  0.936557D+01  0.235062D+01
      4  -0.470541D+01 -0.493905D+01 -0.889689D+01  0.150609D+02 -0.141385D+01
      5   0.877077D+01  0.129126D+02  0.154568D+02  0.730403D+01 -0.759684D+01
      6   0.360495D+01  0.655043D+01  0.138156D+02  0.287969D+01  0.955265D+00
               101           102           103           104           105 
      1  -0.537775D+00 -0.624132D+01  0.401075D+01 -0.223164D+02 -0.649016D+01
      2   0.444463D+00  0.382904D+01 -0.220631D+01  0.185080D+02  0.775107D+01
      3   0.933122D-01  0.241228D+01 -0.180444D+01  0.380838D+01 -0.126091D+01
      4   0.220165D+02  0.127062D+01 -0.203184D+02 -0.631589D+01 -0.369535D+01
      5   0.115694D+01  0.134199D+02 -0.980464D+01 -0.260266D+01 -0.142726D+01
      6   0.837170D+00  0.105380D+01 -0.300502D+01  0.312173D+01 -0.237825D+01
               106           107           108           109           110 
      1  -0.101522D+02 -0.687667D+01  0.146157D+02  0.323445D+01  0.222023D+02
      2   0.407990D+01  0.584289D+01 -0.179951D+02 -0.534887D+01 -0.139194D+02
      3   0.607227D+01  0.103377D+01  0.337938D+01  0.211442D+01 -0.828293D+01
      4  -0.107408D+02  0.625285D+00 -0.776609D+00  0.184009D+02  0.264397D+01
      5   0.346819D+02  0.275033D+00  0.499988D+01  0.282401D+00  0.407040D+01
      6   0.191509D+00  0.433294D+01 -0.290603D+01  0.230620D+01 -0.323815D+01
               111           112           113           114           115 
      1   0.469725D+01 -0.241561D+02  0.753045D+01  0.879219D+00 -0.698868D+01
      2  -0.791757D+00  0.224415D+02 -0.114185D+02 -0.908164D+00  0.784516D+01
      3  -0.390549D+01  0.171456D+01  0.388802D+01  0.289450D-01 -0.856489D+00
      4   0.450293D+01  0.637118D+01  0.111326D+02  0.752208D+01  0.267299D+01
      5   0.484995D+01 -0.349353D+01  0.665152D+01 -0.810143D+01  0.173766D+02
      6  -0.479204D+01  0.585584D+01 -0.500089D+01  0.465899D+01 -0.779073D+01
               116           117           118           119           120 
      1   0.628398D+01  0.717243D+00  0.575621D+01 -0.132209D+02 -0.471735D-01
      2  -0.832082D+01 -0.617903D+01 -0.510196D+01  0.113238D+02 -0.503565D+00
      3   0.203684D+01  0.546178D+01 -0.654243D+00  0.189710D+01  0.550738D+00
      4   0.697941D+01 -0.150784D+02 -0.117238D+02 -0.174288D+02 -0.396968D+01
      5  -0.153504D+02 -0.635352D+01 -0.367466D+00 -0.385561D+01 -0.312903D+01
      6   0.131062D+02 -0.160907D+01 -0.297129D+01 -0.165196D+01  0.335814D+01
               121           122           123           124           125 
      1   0.131796D+01  0.764712D+01  0.475960D+01  0.154291D+01  0.178221D+01
      2  -0.883302D+01 -0.104676D+02 -0.580071D+01 -0.424297D+01 -0.706352D+01
      3   0.751506D+01  0.282046D+01  0.104111D+01  0.270006D+01  0.528131D+01
      4   0.114734D+02 -0.123355D+02 -0.144527D+01  0.722566D-01 -0.449004D+01
      5   0.511008D+00 -0.166535D+01 -0.109995D+01  0.156723D+00 -0.469560D+01
      6  -0.460232D+01 -0.883347D+01  0.262702D+01  0.382387D+01  0.126429D+02
               126           127           128           129           130 
      1  -0.153491D+02 -0.276131D+01  0.736712D+01 -0.198383D+00  0.840166D+01
      2   0.880536D+00  0.574211D+01 -0.105228D+02  0.931373D-01 -0.114226D+02
      3   0.144686D+02 -0.298081D+01  0.315571D+01  0.105246D+00  0.302092D+01
      4  -0.584676D+01 -0.955129D+01  0.769098D+01  0.800749D+00  0.683538D+01
      5  -0.542800D+01 -0.896555D+00  0.736834D+00  0.738153D+00  0.759763D+00
      6   0.535062D+01  0.408611D+00  0.684475D-01 -0.184846D+01 -0.901462D+00
               131           132           133           134           135 
      1  -0.245552D+02 -0.190780D+01  0.483763D-01 -0.164801D+01 -0.598704D+00
      2   0.335879D+02  0.154151D+01 -0.345818D+00  0.231983D+01  0.110124D+01
      3  -0.903269D+01  0.366288D+00  0.297441D+00 -0.671814D+00 -0.502536D+00
      4  -0.685630D+01 -0.451854D+00 -0.564207D-01  0.209924D+00 -0.132150D+01
      5  -0.987978D+00 -0.854417D+00  0.513614D+00 -0.741151D+00  0.267239D-01
      6   0.232874D+01  0.540499D+01 -0.319265D+00  0.142809D+01  0.422845D+00
               136           137           138           139           140 
      1   0.837545D+01  0.646584D+01  0.123459D+01  0.137340D+01 -0.975099D+01
      2   0.175976D+01  0.430885D+01 -0.509374D-01  0.100397D+02  0.304276D+02
      3  -0.101352D+02 -0.107747D+02 -0.118365D+01 -0.114131D+02 -0.206766D+02
      4   0.217838D+02  0.248229D+02  0.513539D+01  0.265210D+02  0.461864D+02
      5   0.475698D+01  0.499349D+01  0.525434D+01  0.495789D+01  0.789682D+01
      6   0.344706D+01  0.388893D+01  0.332692D+01  0.482252D+01  0.101663D+02
               141           142           143           144           145 
      1  -0.206498D+01  0.111343D+01 -0.112931D+01 -0.126162D+01  0.972320D+02
      2   0.361612D+01  0.131126D+01  0.463435D+01  0.201454D+01 -0.559245D+02
      3  -0.155114D+01 -0.242469D+01 -0.350505D+01 -0.752921D+00 -0.413075D+02
      4   0.825898D+01  0.639269D+01  0.974245D+01  0.333209D+01  0.346756D+01
      5   0.628462D+01  0.222164D+01  0.278895D+01  0.204749D+01  0.121937D+02
      6   0.823422D+01  0.203766D+01  0.432621D+01  0.266534D+01 -0.194451D+01
               146           147           148           149           150 
      1   0.276762D+01  0.801493D+01  0.156029D+01  0.904165D+01  0.126829D+01
      2  -0.137055D+01 -0.563847D+01 -0.749659D+00 -0.450944D+01 -0.111089D+01
      3  -0.139707D+01 -0.237646D+01 -0.810633D+00 -0.453221D+01 -0.157404D+00
      4   0.858297D+01 -0.503936D-01  0.142433D+02  0.112523D+01  0.135759D+01
      5   0.224386D-01  0.115020D+02  0.243448D+01  0.144371D+01  0.658576D+00
      6   0.567770D+00  0.159037D-01  0.103320D+01 -0.183557D+00  0.150844D+01
               151           152           153           154           155 
      1   0.112651D+02  0.148553D+01  0.366307D+01  0.150678D+02 -0.100534D+02
      2  -0.673266D+01 -0.945125D+00 -0.253043D+01 -0.562634D+00 -0.340570D+01
      3  -0.453239D+01 -0.540406D+00 -0.113264D+01 -0.145052D+02  0.134591D+02
      4   0.252977D+01  0.116704D+01  0.559276D+00 -0.280073D+02  0.285829D+02
      5   0.398809D+01  0.391475D+00  0.237796D+01 -0.335013D+01  0.246050D+01
      6   0.535820D-01  0.771058D+00  0.308413D+00  0.107047D+01 -0.887157D+00
               156           157           158           159           160 
      1  -0.130445D+01 -0.564759D+01 -0.169189D+01  0.117306D+00  0.411355D+00
      2   0.358141D+00 -0.853874D+01  0.229815D+02  0.995991D+00 -0.141984D+01
      3   0.946304D+00  0.141863D+02 -0.212896D+02 -0.111330D+01  0.100848D+01
      4   0.230284D+01  0.312268D+02 -0.461074D+02 -0.509263D+01  0.291843D+01
      5   0.507682D+01  0.436780D+01 -0.566476D+01 -0.576035D+01  0.167864D+01
      6  -0.295401D+01 -0.271093D+01  0.417430D+01  0.627715D+01 -0.137721D+01
               161           162           163           164           165 
      1  -0.100166D+01 -0.813648D+00 -0.519276D+01 -0.742681D+01 -0.273725D+01
      2   0.267815D+01  0.136216D+01  0.636412D+01  0.882119D+01  0.175709D+01
      3  -0.167649D+01 -0.548513D+00 -0.117136D+01 -0.139438D+01  0.980154D+00
      4  -0.482648D+01 -0.251552D+01  0.505904D+01  0.690542D+01  0.130119D+01
      5  -0.168277D+01 -0.848992D+00  0.721495D+00  0.881336D+00  0.138244D+01
      6   0.263869D+01  0.131669D+01  0.276696D+01  0.410440D+01  0.274201D+01
               166           167           168           169           170 
      1  -0.783173D+01 -0.276715D+02 -0.713989D+01 -0.201619D+01 -0.646621D+01
      2   0.996351D+01  0.356059D+02  0.625057D+01  0.237721D+01  0.738417D+01
      3  -0.213177D+01 -0.793442D+01  0.889321D+00 -0.361017D+00 -0.917962D+00
      4   0.605539D+01  0.242727D+01  0.882834D-01  0.159983D+01  0.108878D+01
      5   0.702351D+00 -0.507030D+00  0.249438D+00  0.113067D+01  0.694204D+00
      6   0.334253D+01  0.114048D+02  0.816856D+01  0.116758D+01  0.423031D+01
               171 
      1  -0.265743D+01
      2   0.260872D+01
      3   0.487091D-01
      4   0.182758D+01
      5   0.991997D+00
      6   0.312937D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.590086D+00      0.149985D+01      0.500296D+01
   x          0.104766D+00      0.266287D+00      0.888239D+00
   y         -0.325935D+00     -0.828443D+00     -0.276339D+01
   z          0.480616D+00      0.122160D+01      0.407484D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.945463D+02      0.140103D+02      0.155886D+02
   aniso      0.497710D+02      0.737530D+01      0.820613D+01
   xx         0.119506D+03      0.177089D+02      0.197038D+02
   yx         0.175632D+01      0.260260D+00      0.289578D+00
   yy         0.999482D+02      0.148108D+02      0.164792D+02
   zx         0.210176D+01      0.311449D+00      0.346533D+00
   zy         0.558917D+01      0.828229D+00      0.921529D+00
   zz         0.641851D+02      0.951125D+01      0.105827D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.999716D+02      0.148143D+02      0.164831D+02
   aniso      0.506784D+02      0.750976D+01      0.835574D+01
   xx         0.125821D+03      0.186447D+02      0.207450D+02
   yx         0.134265D+01      0.198961D+00      0.221374D+00
   yy         0.104939D+03      0.155503D+02      0.173021D+02
   zx         0.212323D+01      0.314631D+00      0.350074D+00
   zy         0.534314D+01      0.791771D+00      0.880964D+00
   zz         0.691555D+02      0.102478D+02      0.114022D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     8         -3.99775529          1.19432156         -2.54785024
     6         -2.96411114         -0.74215330         -0.99283232
     1         -4.33250321          2.65268076         -1.50763863
     1         -3.05181771         -2.43675144         -2.17197577
     6         -4.60802811         -1.14637770          1.34515575
     6         -0.21358665         -0.27789808         -0.30537431
     1         -4.57418160          0.54216472          2.53648181
     1         -3.93046465         -2.72329608          2.48364071
     1         -6.55299941         -1.52640729          0.78048593
     6          1.00404160          1.96899421         -0.92199656
     6          3.51352111          2.36602440         -0.24278496
     6          4.84530803          0.51215967          1.04811616
     6          3.65296374         -1.75294723          1.64806687
     6          1.14840725         -2.13905386          0.97664321
     1         -0.00106860          3.39868869         -1.97952751
     1          4.42917452          4.12679065         -0.74015040
     1          6.79874916          0.81798480          1.57093540
     1          4.67862371         -3.22149310          2.63647280
     1          0.24742690         -3.91743790          1.44411145

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.590086D+00      0.149985D+01      0.500296D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.590086D+00      0.149985D+01      0.500296D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.945463D+02      0.140103D+02      0.155886D+02
   aniso      0.497710D+02      0.737530D+01      0.820613D+01
   xx         0.117051D+03      0.173451D+02      0.192991D+02
   yx         0.644850D+01      0.955570D+00      0.106321D+01
   yy         0.945139D+02      0.140055D+02      0.155832D+02
   zx         0.100571D+02      0.149031D+01      0.165820D+01
   zy        -0.133143D+02     -0.197297D+01     -0.219522D+01
   zz         0.720744D+02      0.106803D+02      0.118835D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.999716D+02      0.148143D+02      0.164831D+02
   aniso      0.506784D+02      0.750976D+01      0.835574D+01
   xx         0.123273D+03      0.182671D+02      0.203249D+02
   yx         0.622192D+01      0.921994D+00      0.102586D+01
   yy         0.992402D+02      0.147059D+02      0.163625D+02
   zx         0.104932D+02      0.155493D+01      0.173010D+01
   zy        -0.134480D+02     -0.199279D+01     -0.221728D+01
   zz         0.774020D+02      0.114698D+02      0.127619D+02

 ----------------------------------------------------------------------
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 MUD THROWN IS GROUND LOST -- FROM A TEA BAG
 Job cpu time:       0 days  2 hours 48 minutes 10.1 seconds.
 Elapsed time:       0 days  0 hours 21 minutes  3.3 seconds.
 File lengths (MBytes):  RWF=    259 Int=      0 D2E=      0 Chk=      9 Scr=      2
 Normal termination of Gaussian 16 at Fri Aug 13 11:08:13 2021.
